Mrv1652309032209542D 30 32 0 0 1 0 999 V2000 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 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 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 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 1 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 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 -2.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 -3.1650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0012 -2.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1166 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0303 -4.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6978 -4.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 -4.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 -3.8795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 -3.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6166 -4.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 3 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 16 15 1 6 0 0 0 9 16 1 0 0 0 0 16 17 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 22 28 1 0 0 0 0 28 29 2 0 0 0 0 20 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > NP0171401 > NP-MRD > CC=C(C)[C@@H]1[C@@H]([C@H]2CC[C@H](C)C[C@]2(C)C=C1C)C(=O)C1=C[C@@](O)(CC(C)C)N=C1O > InChI=1S/C26H39NO3/c1-8-17(5)21-18(6)13-25(7)12-16(4)9-10-20(25)22(21)23(28)19-14-26(30,11-15(2)3)27-24(19)29/h8,13-16,20-22,30H,9-12H2,1-7H3,(H,27,29)/t16-,20+,21-,22+,25+,26-/m0/s1 > DNVVVGHIEYBFCF-JARYQPKYSA-N > C26H39NO3 > 413.602 > 413.29299412 > 4 > 69 > 48.304696233648755 > 1 > 2 > 0 > 0 > (2S)-4-[(1R,2S,4aS,6S,8aR)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-2-(2-methylpropyl)-2H-pyrrole-2,5-diol > 4.95 > 6.2019477730000006 > -5.09 > 0 > 3 > 0 > 12.435716590417645 > 4.876947827654667 > -0.8403775118932243 > 69.89 > 124.28509999999997 > 5 > 0 > 3.35e-03 g/l > (2S)-4-[(1R,2S,4aS,6S,8aR)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-2-(2-methylpropyl)pyrrole-2,5-diol > 0 > NP0171401 > (2s)-4-[(1r,2s,4as,6s,8ar)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-2,5,6,7,8,8a-hexahydro-1h-naphthalene-1-carbonyl]-2-(2-methylpropyl)pyrrole-2,5-diol $$$$