24732 -OEChem-05142406112D 118124 0 1 0 0 0 0 0999 V2000 3.3307 4.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 13.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 10.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5179 5.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3091 15.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4749 5.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1212 5.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0628 2.0741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9288 2.5741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8540 11.8484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7201 12.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1968 2.5741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9288 3.5741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9880 12.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2868 2.0673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7201 13.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0780 11.8415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2787 1.0257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0700 10.7999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0789 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 3.8789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8701 10.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6663 13.6531 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8750 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6663 12.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0628 4.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 13.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 0.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9721 10.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 3.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 13.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4586 3.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3599 2.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2499 12.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1512 12.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1346 10.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 4.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2945 3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7201 14.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0857 12.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2033 11.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 1.0185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1949 10.7927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1857 4.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9769 14.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1642 5.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9555 14.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4534 6.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7640 7.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 1.6548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 1.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5934 11.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 11.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 2.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7241 12.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 0.1757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0733 9.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2969 0.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 1.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 3.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0881 10.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 10.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2288 14.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 1.7025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4124 1.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4152 11.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2037 11.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4613 4.5491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 4.5491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2526 14.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4555 14.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7835 0.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5748 9.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 9.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9195 2.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9195 3.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7681 3.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 3.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7108 12.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7108 13.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 12.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7612 12.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 0.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7372 9.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5355 9.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5488 4.5741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 5.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3088 4.5741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 3.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 3.6872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6745 3.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3401 14.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7201 14.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1001 14.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7057 12.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0905 13.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4657 12.8463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2075 2.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 2.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9987 12.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5916 11.7763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 1.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 10.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 4.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7780 4.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 14.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5621 14.9377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8276 15.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 10.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3534 6.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9566 7.7322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1747 7.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 2 0 0 0 0 2 32 2 0 0 0 0 45 3 1 6 0 0 0 3114 1 0 0 0 0 46 4 1 6 0 0 0 4115 1 0 0 0 0 5 47 2 0 0 0 0 6 48 2 0 0 0 0 7 49 1 0 0 0 0 7 51 1 0 0 0 0 8 51 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 9 53 1 1 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 10 54 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 11 55 1 1 0 0 0 12 17 1 0 0 0 0 12 26 1 0 0 0 0 12 56 1 6 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 13 57 1 6 0 0 0 14 22 1 0 0 0 0 14 27 1 0 0 0 0 14 39 1 1 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 15 58 1 6 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 16 40 1 1 0 0 0 17 24 1 0 0 0 0 17 28 1 0 0 0 0 17 41 1 1 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 18 42 1 1 0 0 0 19 29 1 0 0 0 0 19 37 1 0 0 0 0 19 59 1 6 0 0 0 20 30 1 0 0 0 0 20 38 1 0 0 0 0 20 60 1 6 0 0 0 21 29 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 33 1 0 0 0 0 22 47 1 1 0 0 0 22 63 1 0 0 0 0 23 30 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 35 1 0 0 0 0 24 48 1 1 0 0 0 24 66 1 0 0 0 0 25 33 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 35 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 31 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 32 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 43 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 44 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 45 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 38 46 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0 41 99 1 0 0 0 0 42100 1 0 0 0 0 42101 1 0 0 0 0 42102 1 0 0 0 0 43 45 1 0 0 0 0 43103 1 0 0 0 0 43104 1 0 0 0 0 44 46 1 0 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 45107 1 0 0 0 0 46108 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 49109 1 0 0 0 0 49110 1 0 0 0 0 50111 1 0 0 0 0 50112 1 0 0 0 0 50113 1 0 0 0 0 51 52 1 0 0 0 0 52116 1 0 0 0 0 52117 1 0 0 0 0 52118 1 0 0 0 0 M END > 24732 > 1 > 1260 > 8 > 2 > 5 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYMAAAAwYMGDAAAAAGDAAAAAGgAACAAADxSggAICCAAABgAIAICQCAIAAAAAAAAAAAFAAAAAEBIAAAQCQAAEAAAAAAGIyvCvgAAAAAAAAADAAAYAACAAAQAACAAAAA== > (3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;[2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate > acetic acid [2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester;(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one > (3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;[2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate > (3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;[2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate > [2-[(3R,5S,8S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-11-oxidanylidene-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate;(3R,5S,8S,9S,10S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one > acetic acid [2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-11-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester;(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one > InChI=1S/C23H34O5.C21H32O3/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3;1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h14-18,21,25H,4-12H2,1-3H3;13-17,19,23H,4-11H2,1-3H3/t14-,15+,16-,17-,18+,21+,22-,23-;13-,14+,15-,16+,17-,19+,20-,21+/m00/s1 > YYPNLXNMXQFMHG-GSEHKNNPSA-N > 722.47576906 > C44H66O8 > 723.0 > CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C.CC(=O)OCC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C > CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C.CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C > 135 > 722.47576906 > 0 > 52 > 16 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 54 6 11 55 5 12 56 6 13 57 6 14 39 5 15 58 6 16 40 5 17 41 5 18 42 5 19 59 6 20 60 6 22 47 5 24 48 5 45 3 6 46 4 6 9 53 5 $$$$