Compound 4 CDK 0719191930 31 35 0 0 0 0 0 0 0 0999 V2000 -2.1961 -1.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4856 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4856 0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 -0.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 -1.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 -1.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 0.0431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6526 -1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 0.4707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0645 0.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 0.0694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6395 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0605 0.4970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9816 -0.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3434 1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 1.3392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7711 0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1395 -0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7513 1.7602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4750 0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9092 2.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0737 2.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0671 1.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 2.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8697 1.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1264 0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4093 2.3918 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 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 1 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 6 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 6 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 8 9 1 0 0 0 0 13 14 1 0 0 0 0 19 18 1 6 0 0 0 23 24 1 0 0 0 0 27 28 1 0 0 0 0 M END > CHEBI:144108 > 17(21)-Hopen-3-one > 2 > C30H48O > 424.703 > 424.371 > 0 > O=C1C(C2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5(C(=C(C(C)C)CC5)CC4)C)CC3)C)(C)CC2)(C)CC1)(C)C > InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h19,22-24H,9-18H2,1-8H3/t22?,23-,24-,27+,28+,29-,30-/m1/s1 > QIPITLICOVJMDG-OKOXHQOOSA-N $$$$