70673945 -OEChem-03292411252D 85 90 0 1 0 0 0 0 0999 V2000 12.2594 -0.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 0.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6016 -2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 -1.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5191 4.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2796 4.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1304 -2.8490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -0.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -1.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2594 0.1966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3934 -0.3034 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.2594 1.1966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5273 0.1966 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6173 -0.3102 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2056 1.5014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3934 1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6093 -1.3518 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5273 1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2056 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4094 -1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7892 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5114 -1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6905 0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2594 2.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6739 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7426 -0.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7342 -1.3590 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5163 2.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9299 3.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4679 2.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4696 3.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 -1.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -1.8490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2702 -1.3457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4022 -1.8423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2625 -3.3457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3984 -2.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2586 -4.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9327 -0.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0643 0.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8181 1.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7919 2.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9948 2.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3153 1.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9168 1.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9546 -0.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7430 -0.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6274 -1.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0186 -1.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2501 0.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2501 1.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1141 -2.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9123 -2.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0987 0.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3006 0.7359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8794 2.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2594 2.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6394 2.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2766 -2.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0748 -2.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 0.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1310 -0.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 -1.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7963 -1.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0905 1.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0623 -2.6576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4698 3.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4684 2.8479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9688 2.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4026 -0.8789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6055 -0.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -2.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -1.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 -3.6577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 -2.7323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1841 -3.4241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 -4.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 -4.9656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8786 -4.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 0.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 0.4697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0979 -0.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 65 1 0 0 0 0 2 14 1 0 0 0 0 2 66 1 0 0 0 0 3 17 1 0 0 0 0 3 67 1 0 0 0 0 4 27 1 0 0 0 0 4 32 1 0 0 0 0 5 29 1 0 0 0 0 5 31 1 0 0 0 0 6 31 2 0 0 0 0 7 33 1 0 0 0 0 7 36 1 0 0 0 0 34 8 1 1 0 0 0 8 39 1 0 0 0 0 35 9 1 1 0 0 0 9 82 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 40 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 15 21 1 0 0 0 0 15 28 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 22 1 0 0 0 0 17 25 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 26 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 1 0 0 0 0 30 70 1 0 0 0 0 33 32 1 6 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 34 1 0 0 0 0 33 73 1 0 0 0 0 34 35 1 0 0 0 0 34 74 1 0 0 0 0 35 37 1 0 0 0 0 35 75 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 6 0 0 0 36 76 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 M END > 70673945 > 1 > 1000 > 9 > 4 > 5 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SggAICCAAABgCIAiDSCAAAAAAgAAAACAAAAEgBFAIAIQACUAAFgAALIQPA4PwPgAAAAAAAAADCAAYQADCAAYAADAAAAA== > 3-[5,10,14-trihydroxy-3-[[(2S,3R,4R,6R)-4-hydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]methoxy]-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[5,10,14-trihydroxy-3-[[(2S,3R,4R,6R)-4-hydroxy-3-methoxy-6-methyl-2-oxanyl]methoxy]-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[5,10,14-trihydroxy-3-[[(2S,3R,4R,6R)-4-hydroxy-3-methoxy-6-methyloxan-2-yl]methoxy]-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[5,10,14-trihydroxy-3-[[(2S,3R,4R,6R)-4-hydroxy-3-methoxy-6-methyloxan-2-yl]methoxy]-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[3-[[(2S,3R,4R,6R)-3-methoxy-6-methyl-4-oxidanyl-oxan-2-yl]methoxy]-13-methyl-5,10,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[5,10,14-trihydroxy-3-[[(2S,3R,4R,6R)-4-hydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]methoxy]-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > InChI=1S/C30H46O9/c1-17-12-23(31)26(36-3)24(39-17)16-37-19-4-10-30(35)22-5-8-27(2)20(18-13-25(32)38-15-18)7-11-29(27,34)21(22)6-9-28(30,33)14-19/h13,17,19-24,26,31,33-35H,4-12,14-16H2,1-3H3/t17-,19?,20?,21?,22?,23-,24+,26-,27?,28?,29?,30?/m1/s1 > WNMMPWKKKIUDSC-DNDIFUSASA-N > 0.6 > 550.31418304 > C30H46O9 > 550.7 > CC1CC(C(C(O1)COC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)OC)O > C[C@@H]1C[C@H]([C@H]([C@@H](O1)COC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)OC)O > 135 > 550.31418304 > 0 > 39 > 4 > 8 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 3 11 20 3 12 24 3 13 18 3 15 28 3 14 2 3 17 3 3 33 32 6 36 38 6 27 4 3 34 8 5 35 9 5 $$$$