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 1 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 1 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 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 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5806 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 -0.3837 0.0000 O 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 3.5724 2.0625 0.0000 C 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 -1.4289 -1.6500 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 6 0 0 0 8 11 1 6 0 0 0 8 12 1 1 0 0 0 7 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 15 18 1 0 0 0 0 5 19 1 6 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 2 22 1 1 0 0 0 M END > NP0065574 > NP-MRD > C\C(C=C)=C/C[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C > InChI=1S/C20H34O2/c1-7-14(2)8-9-16-19(5)12-11-17(21)18(3,4)15(19)10-13-20(16,6)22/h7-8,15-17,21-22H,1,9-13H2,2-6H3/b14-8+/t15-,16+,17+,19-,20+/m1/s1 > VAYVUHXFSZQOQZ-CTNWGRNZSA-N > C20H34O2 > 306.49 > 306.255880335 > 2 > 56 > 36.90427184091277 > 1 > 2 > 0 > 1 > (2S,4aR,5S,6S,8aS)-1,1,4a,6-tetramethyl-5-[(2E)-3-methylpenta-2,4-dien-1-yl]-decahydronaphthalene-2,6-diol > 4.62 > 3.9377211356666657 > -4.47 > 0 > 2 > 0 > 19.489432121053742 > -0.2844054499506966 > 40.46 > 93.74329999999999 > 3 > 1 > 1.05e-02 g/l > (2S,4aR,5S,6S,8aS)-1,1,4a,6-tetramethyl-5-[(2E)-3-methylpenta-2,4-dien-1-yl]-hexahydro-2H-naphthalene-2,6-diol > 0 > NP0065574 > (ent-3alpha,8alpha,12E)-12,14-Labdadiene-8,13-diol $$$$