10348156 -OEChem-05082420182D 93 96 0 1 0 0 0 0 0999 V2000 6.5270 1.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3810 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5435 -3.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0284 1.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1130 -3.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8114 -3.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -0.9048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 0.6442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1251 -0.3558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 -0.3558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4831 -0.8626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0713 0.9490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2591 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2591 1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -1.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 0.6442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0713 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6550 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3771 -2.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3820 1.8995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1251 1.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5396 -2.4539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2752 -1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6084 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -1.9114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3605 2.1057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7142 2.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6712 3.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6497 3.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2489 -3.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6794 -3.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9603 4.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2528 -4.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6832 -4.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9388 4.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2925 4.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2151 -1.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 0.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9110 1.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6576 1.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8606 1.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 -2.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8561 0.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8203 -1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6087 -0.9697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1158 -0.2705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1158 0.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9644 0.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1663 0.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9158 -2.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5746 2.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7451 1.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 2.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5051 1.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0033 -2.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8156 -2.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1108 0.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4956 0.7573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 0.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 -0.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 -0.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0648 -1.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 1.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5270 1.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1756 3.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3001 3.1052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2527 2.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6506 3.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0574 3.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6350 1.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6702 2.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2635 3.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1530 4.8023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6328 -4.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -5.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8728 -4.9193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0632 -4.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6856 -5.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3032 -4.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.8633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -2.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0667 3.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5455 4.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8110 5.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7540 5.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8784 5.4187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8310 4.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 1 69 1 0 0 0 0 21 2 1 6 0 0 0 2 33 1 0 0 0 0 24 3 1 1 0 0 0 3 34 1 0 0 0 0 28 4 1 1 0 0 0 4 35 1 0 0 0 0 29 5 1 1 0 0 0 5 75 1 0 0 0 0 6 33 2 0 0 0 0 7 34 2 0 0 0 0 8 35 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 1 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 42 1 6 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 43 1 6 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 12 26 1 1 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 13 44 1 6 0 0 0 14 25 2 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 21 1 0 0 0 0 16 24 1 0 0 0 0 16 47 1 6 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 27 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 25 1 0 0 0 0 21 55 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 6 0 0 0 22 56 1 0 0 0 0 23 57 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 25 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 29 31 1 0 0 0 0 29 68 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 32 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 36 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 36 41 1 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 37 81 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 39 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 41 91 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 M END > 10348156 > 1 > 1040 > 8 > 2 > 11 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGCAAAAAGgAACAAADxSggAICCAAABgCIAiDSCAAAAAAgAAAACAAAAAgBFAIAIQACUAAFwAAKIAPA4PwPgAAAAAAAAADAAAYAADCAAQAACAAAAA== > [(3S,4R,5S,6S,9R,10R,11R,13R,14R,17R)-4,6-diacetoxy-11-hydroxy-17-[(1S,2R)-2-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate > acetic acid [(3S,4R,5S,6S,9R,10R,11R,13R,14R,17R)-4,6-diacetyloxy-11-hydroxy-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester > [(3S,4R,5S,6S,9R,10R,11R,13R,14R,17R)-4,6-diacetyloxy-11-hydroxy-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate > [(3S,4R,5S,6S,9R,10R,11R,13R,14R,17R)-4,6-diacetyloxy-11-hydroxy-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate > [(3S,4R,5S,6S,9R,10R,11R,13R,14R,17R)-4,6-diacetyloxy-10,13-dimethyl-17-[(2S,3R)-6-methyl-3-oxidanyl-heptan-2-yl]-11-oxidanyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate > acetic acid [(3S,4R,5S,6S,9R,10R,11R,13R,14R,17R)-4,6-diacetoxy-11-hydroxy-17-[(1S,2R)-2-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester > InChI=1S/C33H52O8/c1-17(2)9-12-25(37)18(3)23-10-11-24-22-15-28(40-20(5)35)30-31(41-21(6)36)27(39-19(4)34)13-14-32(30,7)29(22)26(38)16-33(23,24)8/h15,17-18,23-31,37-38H,9-14,16H2,1-8H3/t18-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33+/m0/s1 > SUIRSZOPEPPNGJ-JGEDILIOSA-N > 5 > 576.36621861 > C33H52O8 > 576.8 > CC(C)CCC(C(C)C1CCC2C1(CC(C3C2=CC(C4C3(CCC(C4OC(=O)C)OC(=O)C)C)OC(=O)C)O)C)O > C[C@@H]([C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3C2=C[C@@H]([C@@H]4[C@@]3(CC[C@@H]([C@@H]4OC(=O)C)OC(=O)C)C)OC(=O)C)O)C)[C@@H](CCC(C)C)O > 119 > 576.36621861 > 0 > 41 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 1 6 10 42 6 11 43 6 12 26 5 13 44 6 16 47 6 21 2 6 22 30 6 24 3 5 28 4 5 29 5 5 9 23 5 $$$$