Mrv1652309092203052D 25 27 0 0 1 0 999 V2000 1.5553 -2.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3807 -1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5952 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4206 -0.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0316 -0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8172 -0.5648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5828 0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1637 0.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5299 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0728 1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 1.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4391 2.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9243 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 0.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5306 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 -1.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1817 -1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -1.3877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4320 -2.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -1.3711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1056 -2.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 2 24 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 1 0 0 0 M END > NP0276799 > NP-MRD > CC(C)C1=C2[C@@H](C[C@]3(C)CCCC(=C)[C@@]3(O)C[C@@]2(C)CC1)OC(C)=O > InChI=1S/C22H34O3/c1-14(2)17-9-11-20(5)13-22(24)15(3)8-7-10-21(22,6)12-18(19(17)20)25-16(4)23/h14,18,24H,3,7-13H2,1-2,4-6H3/t18-,20-,21+,22+/m1/s1 > FLRNSYLVFNIHJU-YJMBLLCNSA-N > C22H34O3 > 346.511 > 346.250794955 > 2 > 59 > 40.375466888059336 > 1 > 1 > 0 > 1 > (3aR,4aS,8aS,10R)-4a-hydroxy-3a,8a-dimethyl-5-methylidene-1-(propan-2-yl)-2H,3H,3aH,4H,4aH,5H,6H,7H,8H,8aH,9H,10H-cyclohexa[f]azulen-10-yl acetate > 3.982070345333334 > 0 > 3 > 0 > 13.82845024792297 > -3.311235861558492 > 46.53 > 100.19899999999998 > 3 > 1 > (3aR,4aS,8aS,10R)-4a-hydroxy-1-isopropyl-3a,8a-dimethyl-5-methylidene-2H,3H,4H,6H,7H,8H,9H,10H-cyclohexa[f]azulen-10-yl acetate > 0 > NP0276799 > (3ar,4as,8as,10r)-4a-hydroxy-1-isopropyl-3a,8a-dimethyl-5-methylidene-2h,3h,4h,6h,7h,8h,9h,10h-cyclohexa[f]azulen-10-yl acetate $$$$