Mrv1652309032222322D 27 29 0 0 1 0 999 V2000 5.6412 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9527 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5607 0.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 0.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 -0.2370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1803 -0.8820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9967 -1.6863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6417 -2.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5188 -3.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1638 -3.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7508 -3.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 -2.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 -1.6863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3265 -2.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 -1.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2726 -2.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4476 -2.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 -3.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 -0.8820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5541 -0.5921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8656 -1.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3864 0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6763 1.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8409 -0.2370 0.0000 C 0 0 2 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 1 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 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 14 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 27 25 1 6 0 0 0 20 27 1 0 0 0 0 6 27 1 0 0 0 0 M END > NP0181938 > NP-MRD > CO[C@H]1C=C(C)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@H](C[C@@](C)(OC(C)=O)[C@H]12)OC(C)=O > InChI=1S/C20H26O7/c1-9-7-13(24-6)17-15(9)18-16(10(2)19(23)26-18)14(25-11(3)21)8-20(17,5)27-12(4)22/h7,13-18H,2,8H2,1,3-6H3/t13-,14-,15-,16+,17+,18+,20+/m0/s1 > SDFSRLRVBFJUAZ-QAOKCREBSA-N > C20H26O7 > 378.421 > 378.167853177 > 4 > 53 > 39.18408391486801 > 1 > 0 > 0 > 1 > (3aR,4S,6R,6aS,7S,9aR,9bR)-6-(acetyloxy)-7-methoxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate > 0.967927311333333 > 0 > 3 > 0 > -4.1509421011050405 > 88.13000000000001 > 94.9465 > 5 > 1 > (3aR,4S,6R,6aS,7S,9aR,9bR)-6-(acetyloxy)-7-methoxy-6,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate > 0 > NP0181938 > (3ar,4s,6r,6as,7s,9ar,9br)-6-(acetyloxy)-7-methoxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate $$$$