Mrv1652309032216372D 29 32 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 0.6165 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 -2.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -3.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 0 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 0 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 6.6095 -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 1 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 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5807 -3.4873 0.0000 O 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 2 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 0.3056 -1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5116 -1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -0.7354 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 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 1 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 10 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 6 25 1 0 0 0 0 9 25 1 0 0 0 0 25 26 1 1 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M END > NP0176876 > NP-MRD > CC(C)C(=C)CC\C=C1/CC[C@H]2C3=CC[C@H]4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C > InChI=1S/C27H42O2/c1-17(2)18(3)7-6-8-19-10-12-23-22-11-9-20-15-21(28)16-25(29)27(20,5)24(22)13-14-26(19,23)4/h8,11,17,20-21,23-25,28-29H,3,6-7,9-10,12-16H2,1-2,4-5H3/b19-8+/t20-,21+,23-,24-,25+,26+,27-/m0/s1 > LECKCPJQDIJGJF-AIDDBTOVSA-N > C27H42O2 > 398.631 > 398.318480592 > 2 > 71 > 49.859787567478044 > 1 > 2 > 0 > 0 > (1S,2S,3R,5R,7S,11S,14E,15S)-2,15-dimethyl-14-(5-methyl-4-methylidenehexylidene)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-ene-3,5-diol > 5.056058665333335 > 0 > 4 > 0 > 15.371744291036151 > 14.495996255983012 > -2.7260006793748817 > 40.46 > 122.71589999999995 > 4 > 0 > (1S,2S,3R,5R,7S,11S,14E,15S)-2,15-dimethyl-14-(5-methyl-4-methylidenehexylidene)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-ene-3,5-diol > 0 > NP0176876 > (1e,3as,5as,7r,9r,9as,9bs,11as)-9a,11a-dimethyl-1-(5-methyl-4-methylidenehexylidene)-2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-7,9-diol $$$$