Mrv1652304282211412D 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 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 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 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 2.1434 -1.2375 0.0000 C 0 0 2 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 2.8579 -1.6500 0.0000 O 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 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 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 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 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 -0.3873 -2.3784 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 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 9 11 1 1 0 0 0 8 12 1 0 0 0 0 7 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 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 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 > NP0065469 > NP-MRD > C\C(CCC1=C(C)[C@@H](O)C[C@@H]2C(C)(C)CCC[C@@]12C)=C/CO > InChI=1S/C20H34O2/c1-14(9-12-21)7-8-16-15(2)17(22)13-18-19(3,4)10-6-11-20(16,18)5/h9,17-18,21-22H,6-8,10-13H2,1-5H3/b14-9+/t17-,18+,20-/m0/s1 > JBBNHTOZZBOLGD-ZLZZXWIGSA-N > C20H34O2 > 306.49 > 306.255880335 > 2 > 56 > 37.64548744775087 > 1 > 2 > 0 > 1 > (2S,4aR,8aR)-4-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-3,4a,8,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-ol > 4.63 > 3.826907884333332 > -3.90 > 0 > 2 > 0 > 18.488386746478596 > 16.330024175809573 > -1.2729796370902609 > 40.46 > 94.37519999999998 > 4 > 1 > 3.90e-02 g/l > (2S,4aR,8aR)-4-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol > 0 > NP0065469 > 7beta,15-Dihydroxy-ent-labda-8,13E-diene $$$$