Mrv1652304292200582D 40 43 0 0 1 0 999 V2000 3.9277 2.2241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4493 1.5848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2747 0.7785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5354 0.4123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7882 0.7619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5956 1.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7732 1.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4574 0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 0.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0847 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3421 2.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 2.2148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7365 2.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 3.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1397 2.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7236 3.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 5.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 4.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 -0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8806 -0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 -0.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -0.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5447 -0.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2637 -0.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9735 -0.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2729 -1.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8857 0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2184 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6713 0.4761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8459 1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2349 1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2823 -0.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6836 2.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2773 2.9713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 3.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9831 3.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 4.3950 0.0000 C 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 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 6 12 1 0 0 0 0 1 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 16 21 1 0 0 0 0 5 22 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 4 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 3 30 1 1 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 2 34 1 0 0 0 0 32 35 1 6 0 0 0 2 36 1 1 0 0 0 1 37 1 6 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 M END > NP0077816 > NP-MRD > CC(=O)O[C@H]1[C@@H]2C(=C)[C@@H](O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(=O)C2=CC=CC=C2)C2=C(C)C(=O)C[C@@]12C(C)(C)O > InChI=1S/C31H38O9/c1-16-21(34)13-14-30(7)24(16)26(38-18(3)32)31(29(5,6)37)15-22(35)17(2)23(31)25(27(30)39-19(4)33)40-28(36)20-11-9-8-10-12-20/h8-12,21,24-27,34,37H,1,13-15H2,2-7H3/t21-,24-,25+,26-,27-,30+,31-/m0/s1 > WCEHDYZADWCEOC-PAXXPAFFSA-N > C31H38O9 > 554.636 > 554.251582804 > 6 > 78 > 57.29225219318727 > 1 > 2 > 0 > 0 > (3aS,4S,4aR,6S,8aR,9R,10R)-4,9-bis(acetyloxy)-6-hydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2-oxo-2H,3H,3aH,4H,4aH,5H,6H,7H,8H,8aH,9H,10H-cyclohexa[f]azulen-10-yl benzoate > 2.70 > 2.6367327719999993 > -4.60 > 1 > 4 > 0 > 14.906285619347909 > 14.309624620412634 > -2.9579004927431773 > 136.43 > 144.33520000000001 > 8 > 0 > 1.41e-02 g/l > (3aS,4S,4aR,6S,8aR,9R,10R)-4,9-bis(acetyloxy)-6-hydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2-oxo-3H,4H,4aH,6H,7H,8H,9H,10H-cyclohexa[f]azulen-10-yl benzoate > 0 > NP0077816 > (-)-Taxuspine Y $$$$