Mrv1652309062222472D 41 44 0 0 1 0 999 V2000 -4.3971 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 0.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 -1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2411 -0.9702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7092 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8971 -1.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3653 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6456 -2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1953 -0.5346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4756 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2877 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8195 -0.2441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1794 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 -0.2709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1505 0.3804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8018 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 0.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6568 1.0317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4741 0.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9804 1.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 1.4573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6848 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9105 2.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6149 1.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1213 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 1.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 2.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6695 2.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 3.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 -1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 -1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -1.0201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3416 -1.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 -0.6798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3365 0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1486 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9608 -0.1943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4926 0.4364 0.0000 O 0 0 0 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 5 4 1 1 0 0 0 5 6 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 12 11 1 1 0 0 0 12 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 1 0 0 0 18 19 1 6 0 0 0 18 20 1 6 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 6 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 17 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 11 35 1 0 0 0 0 15 35 1 0 0 0 0 35 36 1 6 0 0 0 12 37 1 0 0 0 0 7 37 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 5 40 1 0 0 0 0 40 41 1 1 0 0 0 M END > NP0237597 > NP-MRD > CC(=O)O[C@H](CC[C@@](C)(O)CO)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](OC(C)=O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C > InChI=1S/C31H48O10/c1-17(33)40-24-14-21-22(35)13-20-19(28(21,4)15-23(24)36)7-11-29(5)25(8-12-31(20,29)39)30(6,38)26(41-18(2)34)9-10-27(3,37)16-32/h13,19,21,23-26,32,36-39H,7-12,14-16H2,1-6H3/t19-,21-,23-,24+,25-,26+,27+,28+,29+,30+,31+/m0/s1 > XJCARXXJIYTSQO-RPTCLIKBSA-N > C31H48O10 > 580.715 > 580.324747746 > 8 > 89 > 63.3681682470031 > 1 > 5 > 0 > 0 > (2R,3R,6R)-2-[(1R,2R,4S,5R,7R,11S,14S,15R)-5-(acetyloxy)-4,11-dihydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-14-yl]-2,6,7-trihydroxy-6-methylheptan-3-yl acetate > 0.44520305866666676 > 1 > 4 > 0 > 13.752429498621904 > 13.308123100828354 > -3.067804190719813 > 170.82 > 148.7225 > 10 > 0 > (2R,3R,6R)-2-[(1R,2R,4S,5R,7R,11S,14S,15R)-5-(acetyloxy)-4,11-dihydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-14-yl]-2,6,7-trihydroxy-6-methylheptan-3-yl acetate > 0 > NP0237597 > (2r,3r,6r)-2-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-7-(acetyloxy)-3a,8-dihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,6,7-trihydroxy-6-methylheptan-3-yl acetate $$$$