69739072 -OEChem-04182403002D 84 89 0 1 0 0 0 0 0999 V2000 7.7662 1.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 5.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 6.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8982 2.2591 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9021 1.2591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0380 0.7558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0303 2.7558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0260 -0.2858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9260 -0.8101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1701 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2358 3.7284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8140 0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6327 2.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8261 -0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9386 -1.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 3.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1619 0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 -1.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5650 4.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 4.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7709 5.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.9411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9038 5.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.9411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -5.4411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -3.9411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -4.9411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -3.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 1.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 0.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6654 -1.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5591 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9602 0.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 2.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 2.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 4.3078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4261 0.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0163 1.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1680 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -0.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4357 -0.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8129 4.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 4.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8738 -0.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1544 -2.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 -1.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 3.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6242 3.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 2.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4739 0.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 -0.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 -1.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 -2.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 -2.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3019 2.0745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9815 4.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7009 3.7573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 5.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -3.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -6.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.2511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -7.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 68 1 0 0 0 0 27 2 1 1 0 0 0 31 2 1 1 0 0 0 3 29 1 0 0 0 0 3 32 1 0 0 0 0 4 31 1 0 0 0 0 4 35 1 0 0 0 0 5 32 2 0 0 0 0 33 6 1 1 0 0 0 6 77 1 0 0 0 0 34 7 1 6 0 0 0 7 38 1 0 0 0 0 36 8 1 1 0 0 0 8 81 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 39 1 1 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 40 1 6 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 1 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 13 25 1 1 0 0 0 14 20 1 0 0 0 0 14 23 1 0 0 0 0 14 41 1 1 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 21 1 0 0 0 0 17 28 1 1 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 26 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 67 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 32 1 0 0 0 0 30 71 1 0 0 0 0 31 33 1 0 0 0 0 31 72 1 0 0 0 0 33 34 1 0 0 0 0 33 73 1 0 0 0 0 34 36 1 0 0 0 0 34 74 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 6 0 0 0 35 75 1 0 0 0 0 36 76 1 0 0 0 0 37 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 M END > 69739072 > 1 > 968 > 8 > 3 > 4 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRFAIAIQAiUAAFgAAPIQPA4PwPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2R,3S,4R,5S,6S)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30?/m0/s1 > VPUNMTHWNSJUOG-OOECUBNXSA-N > 2.1 > 534.31926842 > C30H46O8 > 534.7 > CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O > C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O > 115 > 534.31926842 > 0 > 38 > 12 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 9 1 3 10 39 5 11 40 6 12 24 5 13 25 5 14 41 5 17 28 5 27 2 5 31 2 5 35 37 6 33 6 5 34 7 6 36 8 5 $$$$