methyl 2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-4-oxidanylidene-3,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-2-carboxylate

Systemtic Name: methyl 2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-4-oxidanylidene-3,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-2-carboxylate Openeye Name: methyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-4-oxo-3,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-2-carboxylate CAS Name: 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-4-oxo-3,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-2-carboxylic acid methyl ester IUPAC Name: methyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-4-oxo-3,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-2-carboxylate Traditional Name: 10-hydroxy-4-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-2-carboxylic acid methyl ester Formula: C31H46O4 MolecularWeight: 482.69454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1O)C)C=CC4=C5CC(CC(=O)C5(CCC43C)C)(C)C(=O)OC)C)C

Isomeric SMILES

CC1(C2CCC3(C(C2(CCC1O)C)C=CC4=C5CC(CC(=O)C5(CCC43C)C)(C)C(=O)OC)C)C

InChI

InChI=1S/C31H46O4/c1-26(2)21-11-14-31(7)22(29(21,5)13-12-23(26)32)10-9-19-20-17-27(3,25(34)35-8)18-24(33)28(20,4)15-16-30(19,31)6/h9-10,21-23,32H,11-18H2,1-8H3