Mrv1652309032216402D 32 36 0 0 1 0 999 V2000 1.9163 -2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1279 -2.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 -2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9442 -3.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1855 -4.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2592 -4.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 -5.0558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5685 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 -5.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -5.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 -5.0809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1149 -5.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3117 -4.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -3.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5599 -3.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7864 -4.3979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3848 -3.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2097 -3.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0346 -3.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4362 -4.4230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0762 -3.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0601 -4.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0129 -5.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7838 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8573 -5.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 -5.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7647 -5.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9398 -5.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5382 -5.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6119 -5.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4868 -4.3477 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 1 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 17 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 16 30 1 0 0 0 0 11 30 1 0 0 0 0 30 31 1 6 0 0 0 13 32 1 0 0 0 0 4 32 1 0 0 0 0 7 32 1 0 0 0 0 M END > NP0176927 > NP-MRD > CC(=C)C1CC[C@]2(C)CC[C@@]3(C)C(CCC4[C@@]5(C)CC[C@@](C)(O)C(C)(C)C5CC[C@@]34C)C12 > InChI=1S/C31H52O/c1-20(2)21-12-14-27(5)16-18-29(7)22(25(21)27)10-11-24-28(6)17-19-31(9,32)26(3,4)23(28)13-15-30(24,29)8/h21-25,32H,1,10-19H2,2-9H3/t21?,22?,23?,24?,25?,27-,28+,29+,30-,31-/m1/s1 > SDVPCKMBXHYCJP-RSKBOCJRSA-N > C31H52O > 440.756 > 440.401816294 > 1 > 84 > 55.4502760632065 > 1 > 1 > 0 > 0 > (1R,2S,5R,14R,17R)-1,2,5,14,17,18,18-heptamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-17-ol > 7.728623149333333 > 0 > 5 > 0 > -0.4841302991269475 > 20.23 > 135.5465 > 1 > 0 > (1R,2S,5R,14R,17R)-1,2,5,14,17,18,18-heptamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-17-ol > 1 > NP0176927 > (3ar,5as,5br,9r,11ar)-3a,5a,5b,8,8,9,11a-heptamethyl-1-(prop-1-en-2-yl)-tetradecahydro-1h-cyclopenta[a]chrysen-9-ol $$$$