70073954 -OEChem-04162417552D 115120 0 1 0 0 0 0 0999 V2000 8.9613 2.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4523 4.5682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 6.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6933 2.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1554 7.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0934 2.8931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0972 1.8931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2254 3.3897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2331 1.3898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2211 0.3482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4309 4.3624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1211 -0.1761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3613 2.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3652 1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8278 3.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0092 1.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4192 4.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0212 0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2712 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3575 3.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1337 -1.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3570 0.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2586 -1.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3242 5.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8254 2.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4571 5.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 6.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6573 6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -4.3071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5574 2.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.8071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -3.3071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -4.3071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4254 2.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8284 2.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9676 0.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8605 -0.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 3.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7512 2.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 1.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1554 1.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1952 3.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3631 3.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6212 1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2114 1.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0080 4.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2881 5.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2370 -0.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6308 0.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0689 0.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6654 4.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8193 4.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0495 3.3483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3495 -1.8422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7433 -1.1479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 1.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 1.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0449 0.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -1.1479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0428 -1.8422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 -2.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 5.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2221 3.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 3.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 6.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 5.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6727 5.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 3.3829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1571 3.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1175 1.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9635 2.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 2.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -2.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -3.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -5.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -6.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -5.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -6.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -6.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -6.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -5.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -7.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -7.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -7.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -7.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -8.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -8.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -7.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -7.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -8.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -8.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 1 33 1 0 0 0 0 18 2 1 6 0 0 0 2 80 1 0 0 0 0 31 3 1 1 0 0 0 37 3 1 1 0 0 0 4 34 1 0 0 0 0 4 36 1 0 0 0 0 5 33 1 0 0 0 0 5 39 1 0 0 0 0 6 37 1 0 0 0 0 6 41 1 0 0 0 0 7 36 2 0 0 0 0 38 8 1 1 0 0 0 8 45 1 0 0 0 0 40 9 1 6 0 0 0 9 46 1 0 0 0 0 42 10 1 1 0 0 0 10 47 1 0 0 0 0 11 45 1 0 0 0 0 11 48 1 0 0 0 0 12 47 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 52 1 1 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 27 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 53 1 6 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 17 29 1 1 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 19 54 1 1 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 24 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 25 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 30 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 31 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 31 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 79 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 36 1 0 0 0 0 35 85 1 0 0 0 0 37 38 1 0 0 0 0 37 86 1 0 0 0 0 38 40 1 0 0 0 0 38 87 1 0 0 0 0 39 43 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 40 42 1 0 0 0 0 40 90 1 0 0 0 0 41 42 1 0 0 0 0 41 44 1 6 0 0 0 41 91 1 0 0 0 0 42 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 43 95 1 0 0 0 0 44 96 1 0 0 0 0 44 97 1 0 0 0 0 44 98 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 48 50 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 49 51 1 0 0 0 0 49108 1 0 0 0 0 49109 1 0 0 0 0 50110 1 0 0 0 0 50111 1 0 0 0 0 50112 1 0 0 0 0 51113 1 0 0 0 0 51114 1 0 0 0 0 51115 1 0 0 0 0 M END > 70073954 > 1 > 1210 > 12 > 1 > 16 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRBAIAIQAiUAAFgAAOMQPA4PwPgAAAAAAAAADAAAYAADAAAYQADAAAAA== > 3-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-(ethoxymethoxy)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyl-2-oxanyl]oxy]-14-(ethoxymethoxy)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyloxan-2-yl]oxy-14-(ethoxymethoxy)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyloxan-2-yl]oxy-14-(ethoxymethoxy)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyl-oxan-2-yl]oxy-14-(ethoxymethoxy)-10,13-dimethyl-17-oxidanyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-(ethoxymethoxy)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > InChI=1S/C39H64O12/c1-8-43-22-47-32-25(4)50-35(34(33(32)42-7)48-23-44-9-2)51-28-13-15-36(5)26(19-28)11-12-30-29(36)14-16-37(6)38(41,27-20-31(40)46-21-27)17-18-39(30,37)49-24-45-10-3/h20,25-26,28-30,32-35,41H,8-19,21-24H2,1-7H3/t25-,26+,28-,29-,30+,32-,33+,34-,35-,36-,37+,38-,39-/m0/s1 > OMDRXXHSYNGMFW-ZUKJTSABSA-N > 4.1 > 724.43977747 > C39H64O12 > 724.9 > CCOCOC1C(OC(C(C1OC)OCOCC)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5(C6=CC(=O)OC6)O)OCOCC)C)C)C > CCOCO[C@H]1[C@@H](O[C@H]([C@H]([C@@H]1OC)OCOCC)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@]5(C6=CC(=O)OC6)O)OCOCC)C)C)C > 130 > 724.43977747 > 0 > 51 > 13 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 5 42 10 5 14 52 5 15 27 5 16 53 6 17 29 5 19 54 5 18 2 6 31 3 5 37 3 5 41 44 6 38 8 5 40 9 6 $$$$