Mrv1652304292202592D 23 26 0 0 1 0 999 V2000 3.3179 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 0.6438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0099 0.0351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2043 0.2129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9555 0.9995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5123 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1344 1.2014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5353 0.5473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8407 -0.2392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6500 -0.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -0.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0598 1.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5166 1.5456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0434 2.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 2.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8975 0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7105 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 1.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 -0.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8603 -0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3723 0.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 1 0 0 0 9 11 1 6 0 0 0 8 12 1 1 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 7 15 1 1 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 8 18 1 0 0 0 0 5 19 1 1 0 0 0 3 20 1 6 0 0 0 20 21 1 0 0 0 0 3 22 1 1 0 0 0 2 23 1 1 0 0 0 M END > NP0079915 > NP-MRD > C[C@]1(CO)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)[C@@H](O)C[C@H]12 > InChI=1S/C20H32O3/c1-12-9-20-10-13(12)4-5-14(20)18(2)7-6-16(22)19(3,11-21)15(18)8-17(20)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15+,16-,17+,18+,19-,20+/m1/s1 > ZHAIQJLGKAVXSD-SSADKFRXSA-N > C20H32O3 > 320.473 > 320.23514489 > 3 > 55 > 36.92508305524584 > 1 > 3 > 0 > 1 > (1R,2S,4S,5S,6R,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-2,6-diol > 1.74 > 1.8737448746666665 > -3.17 > 0 > 4 > 0 > 15.270214268426788 > 14.485832585831297 > -0.3743121249698197 > 60.69 > 90.45209999999999 > 1 > 1 > 2.17e-01 g/l > (1R,2S,4S,5S,6R,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-2,6-diol > 0 > NP0079915 > Foliol $$$$