Mrv1652309062220462D 43 45 0 0 1 0 999 V2000 -2.4903 13.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7619 12.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0623 13.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7331 12.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0047 11.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 10.8352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7929 10.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1689 11.0068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0860 11.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 12.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 12.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2111 13.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3831 10.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 9.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6788 9.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1268 8.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9337 8.6529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5212 7.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0733 7.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9017 6.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 7.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 7.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2559 7.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 6.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2559 6.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2559 5.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9704 4.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6848 5.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9704 3.9484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6848 3.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6848 2.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3993 2.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3993 1.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1138 2.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2559 3.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 3.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 4.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 3.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 8.4814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5253 8.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 9.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0378 9.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2308 10.0506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 6 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 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 24 22 1 4 0 0 0 24 25 2 0 0 0 0 26 25 1 4 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 29 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 21 39 1 0 0 0 0 17 39 1 0 0 0 0 39 40 1 6 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 43 42 1 1 0 0 0 6 43 1 0 0 0 0 15 43 1 0 0 0 0 M END > NP0235985 > NP-MRD > CC(C)=CC[C@H](OC(C)=O)C(C)=CC=C\C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(COC(C)=O)[C@@H](CC[C@]21C)OC(C)=O > InChI=1S/C36H52O7/c1-22(2)14-15-29(42-26(6)38)23(3)12-11-13-24(4)33-28(40)20-31-34(8)19-17-32(43-27(7)39)36(10,21-41-25(5)37)30(34)16-18-35(31,33)9/h11-14,29-32H,15-21H2,1-10H3/b13-11?,23-12?,33-24+/t29-,30+,31-,32+,34-,35-,36+/m0/s1 > BKYTUKQTWNSKPW-RWEXOTDWSA-N > C36H52O7 > 596.805 > 596.371304014 > 4 > 95 > 69.29546713119898 > 0 > 0 > 0 > 0 > (5S)-10-[(3Z,3aS,5aR,6S,7R,9aR,9bS)-7-(acetyloxy)-6-[(acetyloxy)methyl]-3a,6,9a-trimethyl-2-oxo-dodecahydro-1H-cyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,6,8-trien-5-yl acetate > 5.849479045333332 > 1 > 3 > 0 > 19.7749113093354 > -4.827823292156856 > 95.97 > 169.92970000000005 > 12 > 0 > (5S)-10-[(3Z,3aS,5aR,6S,7R,9aR,9bS)-7-(acetyloxy)-6-[(acetyloxy)methyl]-3a,6,9a-trimethyl-2-oxo-octahydrocyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,6,8-trien-5-yl acetate > 0 > NP0235985 > (5s)-10-[(3z,3as,5ar,6s,7r,9ar,9bs)-7-(acetyloxy)-6-[(acetyloxy)methyl]-3a,6,9a-trimethyl-2-oxo-octahydrocyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,6,8-trien-5-yl acetate $$$$