Mrv1652309052218072D 35 38 0 0 1 0 999 V2000 0.4503 -2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 -1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 -2.0864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 -1.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1382 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.9702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9503 -1.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -0.6798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2336 -0.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6412 1.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 -0.6299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4774 -0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 -0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9309 -1.3791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4373 -2.0304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7859 -2.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0886 -1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9436 -2.6817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7609 -2.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6327 -3.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1391 -4.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9563 -3.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2672 -3.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4627 -4.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -1.4059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4662 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -1.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -1.1154 0.0000 C 0 0 2 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 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 1 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 6 0 0 0 21 23 1 6 0 0 0 21 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 20 31 1 0 0 0 0 17 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 35 34 1 6 0 0 0 16 35 1 0 0 0 0 7 35 1 0 0 0 0 M END > NP0216237 > NP-MRD > CC(C)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@@H]2C3=CC(=O)C4=C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O > InChI=1S/C29H44O6/c1-16(2)7-10-26(33)29(6,34)25-9-8-19-18-13-22(31)21-14-23(32)24(35-17(3)30)15-28(21,5)20(18)11-12-27(19,25)4/h13-14,16,19-20,23-26,32-34H,7-12,15H2,1-6H3/t19-,20+,23+,24+,25-,26+,27+,28-,29-/m1/s1 > RMENLPCGRPPGAV-RMCSFTSASA-N > C29H44O6 > 488.665 > 488.313789137 > 5 > 79 > 55.08019754203856 > 1 > 3 > 0 > 0 > (1S,2R,4S,5S,11S,14R,15S)-14-[(2R,3S)-2,3-dihydroxy-6-methylheptan-2-yl]-5-hydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,9-dien-4-yl acetate > 3.531789765666667 > 1 > 4 > 0 > 13.956718635559103 > 13.36676359594371 > -3.235002855398476 > 104.06 > 135.53900000000002 > 7 > 1 > (1S,2R,4S,5S,11S,14R,15S)-14-[(2R,3S)-2,3-dihydroxy-6-methylheptan-2-yl]-5-hydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,9-dien-4-yl acetate > 0 > NP0216237 > (1r,3as,7s,8s,9ar,9bs,11as)-1-[(2r,3s)-2,3-dihydroxy-6-methylheptan-2-yl]-7-hydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,3ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-8-yl acetate $$$$