methyl 9-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-yl]carbonylamino]nonanoate

Systemtic Name: methyl 9-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-yl]carbonylamino]nonanoate Openeye Name: methyl 9-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carbonyl]amino]nonanoate CAS Name: 9-[[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-yl]-oxomethyl]amino]nonanoic acid methyl ester IUPAC Name: methyl 9-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carbonyl]amino]nonanoate Traditional Name: 9-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetoxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carbonyl]amino]pelargonic acid methyl ester Formula: C42H67NO6 MolecularWeight: 681.98448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)NCCCCCCCCC(=O)OC)C)C)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)NCCCCCCCCC(=O)OC)C)C)C)C

InChI

InChI=1S/C42H67NO6/c1-28(44)49-33-18-19-40(6)32(37(33,2)3)17-20-42(8)35(40)31(45)26-29-30-27-39(5,22-21-38(30,4)23-24-41(29,42)7)36(47)43-25-15-13-11-10-12-14-16-34(46)48-9/h26,30,32-33,35H,10-25,27H2,1-9H3,(H,43,47)/t30-,32-,33-,35+,38+,39-,40-,41+,42+/m0/s1