Mrv1652309122217172D 25 28 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 2 0 0 0 0 0 0 0 0 0 2.2084 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 0.9106 0.0000 C 0 0 2 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 2 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 1 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 1 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 1.6901 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 1 0 0 0 0 0 0 0 0 0 0.4392 1.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 0.9387 0.0000 O 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 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 2 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 9 22 1 1 0 0 0 22 23 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 1 0 0 0 M END > NP0330188 > NP-MRD > C[C@]1(O)C[C@@]23C[C@@H](O)[C@]4(O)[C@@H](C[C@@H](O)C4(C)C)C(=C)[C@@H]2CC[C@@H]1[C@@H]3O > InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14+,15+,16-,18-,19-,20+/m0/s1 > KEOQZUCOGXIEQR-HQDJGWOPSA-N > C20H32O5 > 352.471 > 352.22497413 > 5 > 57 > 38.45485642286965 > 1 > 5 > 0 > 1 > (1S,3R,4S,6R,8S,10S,13R,14S,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecane-3,4,6,14,16-pentol > -0.28841213233333374 > 0 > 4 > 0 > 14.03509417164079 > 13.064008824432658 > -2.9367789973172886 > 101.15 > 93.1468 > 0 > 1 > (1S,3R,4S,6R,8S,10S,13R,14S,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecane-3,4,6,14,16-pentol > 0 > NP0330188 > (1s,3r,4s,6r,8s,10s,13r,14s,16s)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecane-3,4,6,14,16-pentol $$$$