Mrv1652309122216432D 34 37 0 0 1 0 999 V2000 0.1102 -2.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 -3.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 -3.6793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5492 -4.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -3.0280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4338 -2.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8728 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2049 -3.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 -4.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 -4.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 -3.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -4.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 6 0 0 0 9 7 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 15 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 17 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 13 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 12 29 1 0 0 0 0 9 29 1 0 0 0 0 29 30 1 6 0 0 0 2 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 M END > NP0329888 > NP-MRD > C[C@H]([C@@H](O)[C@H](O)C(=C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C > InChI=1S/C29H48O5/c1-15(25(33)26(34)16(2)27(3,4)5)18-8-9-19-17-12-22(30)21-13-23(31)24(32)14-29(21,7)20(17)10-11-28(18,19)6/h15,17-21,23-26,31-34H,2,8-14H2,1,3-7H3/t15-,17-,18+,19-,20-,21+,23-,24+,25+,26+,28-,29+/m0/s1 > HAOQPQZVDMAOKT-YTAKFDLJSA-N > C29H48O5 > 476.698 > 476.350174646 > 5 > 82 > 54.42449372460743 > 1 > 4 > 0 > 0 > (1S,2R,4R,5S,7S,10S,11S,14R,15R)-14-[(2S,3R,4R)-3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl]-4,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-one > 3.5319738229999995 > 0 > 4 > 0 > 13.971860125771833 > 13.30191133524102 > -3.1530299910083173 > 97.99000000000001 > 133.3965 > 5 > 1 > (1S,2R,4R,5S,7S,10S,11S,14R,15R)-14-[(2S,3R,4R)-3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl]-4,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-one > 0 > NP0329888 > (1r,3as,3bs,5as,7s,8r,9ar,9bs,11ar)-1-[(2s,3r,4r)-3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl]-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one $$$$