Mrv1533004241516252D 31 35 0 0 0 0 999 V2000 8.0901 1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4687 1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1403 0.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2623 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8607 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0141 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4685 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5611 1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 1.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 8 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 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 19 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 13 30 1 0 0 0 0 18 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > NP0175631 > NP-MRD > CC(=O)OC1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC12C > InChI=1S/C29H48O2/c1-19(30)31-21-12-16-26(4)20(21)11-17-28(6)23(26)9-10-24-27(5)15-8-14-25(2,3)22(27)13-18-29(24,28)7/h20-24H,8-18H2,1-7H3 > CGTGHBWPWUEMOV-UHFFFAOYSA-N > C29H48O2 > 428.701 > 428.365430786 > 1 > 79 > 53.01143741201115 > 1 > 0 > 0 > 0 > 1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-6-yl acetate > 6.49 > 7.140257114666667 > -7.31 > 0 > 5 > 0 > -7.003225335017921 > 26.3 > 126.66109999999999 > 2 > 0 > 2.10e-05 g/l > 1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-6-yl acetate > 1 > NP0175631 > 5a,5b,8,8,11a,13b-hexamethyl-hexadecahydrocyclopenta[a]chrysen-3-yl acetate $$$$