Mrv1652309072217432D 32 35 0 0 1 0 999 V2000 -0.4885 -4.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3089 -4.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7939 -3.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -2.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 -2.1582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7637 -2.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6077 -1.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0202 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4681 -0.0769 0.0000 C 0 0 0 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 0.0000 0.8250 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 1.4289 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 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 2.8579 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 1.2375 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 2.1434 -0.4125 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 1.4289 -0.8250 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 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8007 -1.2330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0044 -1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5376 -2.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2712 -2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5343 -2.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6445 -5.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1596 -5.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -5.0866 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 4 5 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 1 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 1 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 15 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 11 23 1 0 0 0 0 23 24 2 0 0 0 0 10 25 1 0 0 0 0 7 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 2 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 M END > NP0252273 > NP-MRD > CC(C)C(=C)\C=C\[C@@H](C)[C@H]1CC[C@@H](C2=C[C@@H]3O[C@@]33C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CC=O > InChI=1S/C28H40O4/c1-17(2)18(3)7-8-19(4)22-9-10-23(26(22,5)13-14-29)21-15-24-28(32-24)16-20(30)11-12-27(28,6)25(21)31/h7-8,14-15,17,19-20,22-24,30H,3,9-13,16H2,1-2,4-6H3/b8-7+/t19-,20+,22-,23+,24+,26-,27-,28+/m1/s1 > AUSQYKJYXFAPGL-DOILQICDSA-N > C28H40O4 > 440.624 > 440.292659768 > 4 > 72 > 50.591833893319745 > 1 > 1 > 0 > 0 > 2-[(1R,2R,5R)-2-[(1bS,4S,5aR,5bS)-4-hydroxy-1b-methyl--oxo-H,1bH,2H,3H,4H,5H,5bH-naphtho[1,8a-b]oxiren--yl]-1-methyl-5-[(2R,3E)-6-methyl-5-methylidenehept-3-en-2-yl]cyclopentyl]acetaldehyde > 4.688022770333334 > 1 > 4 > 0 > 17.828519620659247 > 15.15819219050449 > -2.729199607126538 > 66.9 > 128.58069999999995 > 7 > 1 > 2-[(1R,2R,5R)-2-[(1bS,4S,5aR,5bS)-4-hydroxy-1b-methyl--oxo-2H,3H,4H,5H,5bH-naphtho[1,8a-b]oxiren--yl]-1-methyl-5-[(2R,3E)-6-methyl-5-methylidenehept-3-en-2-yl]cyclopentyl]acetaldehyde > 0 > NP0252273 > 2-[(1r,2r,5r)-2-[(1as,4as,7s,8ar)-7-hydroxy-4a-methyl-4-oxo-1ah,5h,6h,7h,8h-naphtho[1,8a-b]oxiren-3-yl]-1-methyl-5-[(2r,3e)-6-methyl-5-methylidenehept-3-en-2-yl]cyclopentyl]acetaldehyde $$$$