Mrv1652309122216472D 23 26 0 0 1 0 999 V2000 3.7732 -0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 0.1263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3896 -0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1362 0.1751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7927 0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 0.9106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6901 1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 1.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 1.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 1.7950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8820 2.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2905 1.2466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4695 2.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 0.4220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0427 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5472 0.7966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3719 0.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0824 1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 2.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9434 2.2914 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 8 7 1 6 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 2 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 M END > NP0329926 > NP-MRD > CC1=C[C@]23C[C@H]1CC[C@H]2C(=C)[C@H]1C[C@H](O)C(C)(C)[C@@]1(O)[C@H](O)C3 > InChI=1S/C20H30O3/c1-11-8-19-9-13(11)5-6-14(19)12(2)15-7-16(21)18(3,4)20(15,23)17(22)10-19/h8,13-17,21-23H,2,5-7,9-10H2,1,3-4H3/t13-,14+,15-,16+,17-,19-,20+/m1/s1 > BDIVLMKLYRWORT-IGCXGIAKSA-N > C20H30O3 > 318.457 > 318.219494826 > 3 > 53 > 36.17757027434298 > 1 > 3 > 0 > 1 > (1R,3R,4R,6S,8R,10S,13R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadec-14-ene-3,4,6-triol > 1.810469951333333 > 0 > 4 > 0 > 14.448652450532506 > 13.095957208506839 > -2.9727804587493996 > 60.69 > 90.898 > 0 > 1 > (1R,3R,4R,6S,8R,10S,13R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadec-14-ene-3,4,6-triol > 0 > NP0329926 > (1r,3r,4r,6s,8r,10s,13r)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadec-14-ene-3,4,6-triol $$$$