[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-11-[(phenylmethyl)carbamoyl]-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] ethanoate

Systemtic Name: [4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-11-[(phenylmethyl)carbamoyl]-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] ethanoate Openeye Name: [11-(benzylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] acetate CAS Name: acetic acid [4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-[oxo-[(phenylmethyl)amino]methyl]-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] ester IUPAC Name: [11-(benzylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] acetate Traditional Name: acetic acid [11-(benzylcarbamoyl)-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] ester Formula: C39H55NO4 MolecularWeight: 601.8583

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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)NCC6=CC=CC=C6)C)C)C)C

Isomeric SMILES

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)NCC6=CC=CC=C6)C)C)C)C

InChI

InChI=1S/C39H55NO4/c1-25(41)44-31-15-16-37(6)30(34(31,2)3)14-17-39(8)32(37)29(42)22-27-28-23-36(5,19-18-35(28,4)20-21-38(27,39)7)33(43)40-24-26-12-10-9-11-13-26/h9-13,22,28,30-32H,14-21,23-24H2,1-8H3,(H,40,43)