methyl (4aS,6aR,6aS,6bR,8aR,12aS,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-4a-carboxylate

Systemtic Name: methyl (4aS,6aR,6aS,6bR,8aR,12aS,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-4a-carboxylate Openeye Name: methyl (4aS,6aR,6aS,6bR,8aR,12aS,14bS)-11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-4a-carboxylate CAS Name: (4aS,6aR,6aS,6bR,8aR,12aS,14bS)-11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aS,6aR,6aS,6bR,8aR,12aS,14bS)-11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-4a-carboxylate Traditional Name: (4aS,6aR,6aS,6bR,8aR,12aS,14bS)-11-cyano-10-hydroxy-13-keto-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-4a-carboxylic acid methyl ester Formula: C32H45NO4 MolecularWeight: 507.704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CC(=C(C5(C)C)O)C#N)C)C)C2C1)C)C(=O)OC)C

Isomeric SMILES

C[C@@]12CC[C@@H]3[C@@]([C@H]1C(=O)C=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)(CC(=C(C3(C)C)O)C#N)C

InChI

InChI=1S/C32H45NO4/c1-27(2)11-13-32(26(36)37-8)14-12-30(6)20(21(32)17-27)15-22(34)24-29(5)16-19(18-33)25(35)28(3,4)23(29)9-10-31(24,30)7/h15,21,23-24,35H,9-14,16-17H2,1-8H3/t21-,23-,24+,29-,30+,31+,32-/m0/s1