methyl (4aR,12aR)-6-methoxy-12-methoxycarbonyloxy-12a-methyl-3-oxidanylidene-1,2,4,4a,11,12-hexahydrochrysene-4-carboxylate

Systemtic Name: methyl (4aR,12aR)-6-methoxy-12-methoxycarbonyloxy-12a-methyl-3-oxidanylidene-1,2,4,4a,11,12-hexahydrochrysene-4-carboxylate Openeye Name: methyl (4aR,12aR)-6-methoxy-12-methoxycarbonyloxy-12a-methyl-3-oxo-1,2,4,4a,11,12-hexahydrochrysene-4-carboxylate CAS Name: (4aR,12aR)-6-methoxy-12-methoxycarbonyloxy-12a-methyl-3-oxo-1,2,4,4a,11,12-hexahydrochrysene-4-carboxylic acid methyl ester IUPAC Name: methyl (4aR,12aR)-6-methoxy-12-methoxycarbonyloxy-12a-methyl-3-oxo-1,2,4,4a,11,12-hexahydrochrysene-4-carboxylate Traditional Name: (4aR,12aR)-12-carbomethoxyoxy-3-keto-6-methoxy-12a-methyl-1,2,4,4a,11,12-hexahydrochrysene-4-carboxylic acid methyl ester Formula: C24H26O7 MolecularWeight: 426.45904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C(C1C3=C(CC2OC(=O)OC)C4=CC=CC=C4C(=C3)OC)C(=O)OC

Isomeric SMILES

C[C@@]12CCC(=O)C([C@@H]1C3=C(CC2OC(=O)OC)C4=CC=CC=C4C(=C3)OC)C(=O)OC

InChI

InChI=1S/C24H26O7/c1-24-10-9-17(25)20(22(26)29-3)21(24)16-11-18(28-2)14-8-6-5-7-13(14)15(16)12-19(24)31-23(27)30-4/h5-8,11,19-21H,9-10,12H2,1-4H3/t19?,20?,21-,24-/m0/s1