Mrv1652304282211462D 22 23 0 0 1 0 999 V2000 -0.7145 -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 1 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 2 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 2.8579 -0.0000 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 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 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 2.1434 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 2.0625 0.0000 O 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 -0.3873 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 -3.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -2.3784 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 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 4 11 1 1 0 0 0 7 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 14 17 1 1 0 0 0 14 18 1 1 0 0 0 5 19 1 1 0 0 0 3 20 1 1 0 0 0 20 21 1 0 0 0 0 3 22 1 6 0 0 0 M END > NP0065568 > NP-MRD > C[C@@](O)(CC[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C)C=C > InChI=1S/C20H34O2/c1-6-19(4,22)13-10-16-15(2)8-9-17-18(3,14-21)11-7-12-20(16,17)5/h6,16-17,21-22H,1-2,7-14H2,3-5H3/t16-,17-,18+,19-,20+/m0/s1 > IERFAZQCIAZODG-UHZRXMQZSA-N > C20H34O2 > 306.49 > 306.255880335 > 2 > 56 > 37.11418933439176 > 1 > 2 > 0 > 1 > (3R)-5-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol > 3.99 > 4.023648446333333 > -5.20 > 0 > 2 > 0 > 18.592337012045796 > 18.327628376228947 > -0.9805264384389459 > 40.46 > 92.85299999999998 > 5 > 1 > 1.93e-03 g/l > (3R)-5-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol > 0 > NP0065568 > 8(17),14-Labdadiene-13R,19-diol $$$$