Mrv1652304282211412D 22 23 0 0 1 0 999 V2000 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5806 4.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9679 3.7413 0.0000 C 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 6 0 0 0 8 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 6 0 0 0 5 20 1 6 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 M END > NP0065470 > NP-MRD > CC1=C(CCC(=C)[C@H](O)CO)[C@]2(C)CCCC(C)(C)[C@H]2CC1 > InChI=1S/C20H34O2/c1-14-8-10-18-19(3,4)11-6-12-20(18,5)16(14)9-7-15(2)17(22)13-21/h17-18,21-22H,2,6-13H2,1,3-5H3/t17-,18-,20+/m1/s1 > GEXAAFOIYBQWRR-GGPKGHCWSA-N > C20H34O2 > 306.49 > 306.255880335 > 2 > 56 > 37.389732626306404 > 1 > 2 > 0 > 1 > (2S)-5-[(4aR,8aR)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-methylidenepentane-1,2-diol > 4.35 > 4.040749014666667 > -4.11 > 0 > 2 > 0 > 15.606782052678962 > 13.792824862702833 > -2.957648903096187 > 40.46 > 93.14869999999998 > 5 > 1 > 2.37e-02 g/l > (2S)-5-[(4aR,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylidenepentane-1,2-diol > 0 > NP0065470 > 14,15-Dihydroxy-ent-labda-8,13(16)-diene $$$$