Mrv1652309112222102D 26 28 0 0 1 0 999 V2000 -0.4902 4.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6617 4.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4154 3.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 4.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3291 2.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5222 2.7597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1097 3.4742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7061 3.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 3.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2492 2.2133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9637 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 2.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 0.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1071 2.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8216 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 2.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8216 0.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5676 1.7486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2998 1.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5799 0.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 0.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6956 1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 1.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 1.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0399 2.0902 0.0000 C 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 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 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 10 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 6 25 1 0 0 0 0 19 25 1 0 0 0 0 25 26 1 6 0 0 0 M END > NP0319242 > NP-MRD > CC(C)CC(=O)OC[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@]2(C)C(=O)CC[C@@]12O > InChI=1S/C20H28O6/c1-11(2)9-16(22)25-10-13-5-6-14-12(3)18(23)26-17(14)19(4)15(21)7-8-20(13,19)24/h11,13-14,17,24H,3,5-10H2,1-2,4H3/t13-,14+,17-,19+,20-/m1/s1 > NGKFAMFILMKFJI-DZDZPLTMSA-N > C20H28O6 > 364.438 > 364.188588622 > 4 > 54 > 38.709177429429104 > 1 > 1 > 0 > 1 > [(3aS,6R,6aR,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-dodecahydroazuleno[4,5-b]furan-6-yl]methyl 3-methylbutanoate > 2.5910263256666664 > 0 > 3 > 0 > 17.655207546868436 > 13.842641757902097 > -3.3047191752339016 > 89.9 > 93.1681 > 5 > 1 > [(3aS,6R,6aR,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-hexahydro-3aH-azuleno[4,5-b]furan-6-yl]methyl 3-methylbutanoate > 0 > NP0319242 > [(3as,6r,6ar,9as,9br)-6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-hexahydro-3ah-azuleno[4,5-b]furan-6-yl]methyl 3-methylbutanoate $$$$