10031063 -OEChem-05052414122D 89 94 0 1 0 0 0 0 0999 V2000 7.7662 2.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9038 6.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1835 5.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8982 2.7562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9021 1.7562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0380 1.2529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0303 3.2529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0260 0.2113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9260 -0.3129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1701 1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2358 4.2255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8140 1.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6327 3.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8261 0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 4.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -0.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9386 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 3.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1619 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5650 4.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7709 5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 4.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1621 5.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.4440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -4.9440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -3.4440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -4.4440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -2.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 2.1897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 0.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6654 -0.7323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5591 1.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9602 1.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 3.3314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 2.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 4.8049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4261 1.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0163 1.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1680 3.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -0.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4357 0.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8129 4.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 4.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8738 0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -0.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1544 -1.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 -1.2847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 4.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6242 4.0575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 3.2114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4739 1.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 1.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 0.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 -1.2847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 -1.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 -2.2529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3019 2.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 5.7555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 6.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2619 4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -3.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -5.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -6.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -6.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -6.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -5.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 1 0 0 0 1 71 1 0 0 0 0 28 2 1 1 0 0 0 32 2 1 1 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 32 1 0 0 0 0 4 36 1 0 0 0 0 5 33 2 0 0 0 0 34 6 1 1 0 0 0 6 39 1 0 0 0 0 35 7 1 6 0 0 0 7 40 1 0 0 0 0 37 8 1 1 0 0 0 8 83 1 0 0 0 0 9 39 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 42 1 1 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 43 1 6 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 25 1 1 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 26 1 1 0 0 0 15 21 1 0 0 0 0 15 24 1 0 0 0 0 15 44 1 1 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 22 1 0 0 0 0 18 29 1 1 0 0 0 18 49 1 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 27 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 28 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 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 28 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 33 1 0 0 0 0 31 74 1 0 0 0 0 32 34 1 0 0 0 0 32 75 1 0 0 0 0 34 35 1 0 0 0 0 34 76 1 0 0 0 0 35 37 1 0 0 0 0 35 77 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 6 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 41 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 41 89 1 0 0 0 0 M END > 10031063 > 1 > 1080 > 9 > 2 > 6 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRFAIAIQAiUAAFgAAPIQPA4PwPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > [(2R,3S,4R,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-tetrahydropyran-3-yl] acetate > acetic acid [(2R,3S,4R,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-3-oxanyl] ester > [(2R,3S,4R,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyloxan-3-yl] acetate > [(2R,3S,4R,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyloxan-3-yl] acetate > [(2R,3S,4R,5S,6S)-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-5-oxidanyl-oxan-3-yl] ethanoate > acetic acid [(2R,3S,4R,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-tetrahydropyran-3-yl] ester > InChI=1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1 > UYQMTWMXBKEHJQ-IVHDSYOHSA-N > 2.7 > 576.32983310 > C32H48O9 > 576.7 > CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC(=O)C)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([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O > 121 > 576.32983310 > 0 > 41 > 13 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 5 11 42 5 12 43 6 13 25 5 14 26 5 15 44 5 18 29 5 28 2 5 32 2 5 36 38 6 34 6 5 35 7 6 37 8 5 $$$$