[13-methyl-16-oxidanyl-17-(propanoylamino)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate

Systemtic Name: [13-methyl-16-oxidanyl-17-(propanoylamino)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [16-hydroxy-13-methyl-17-(propanoylamino)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [16-hydroxy-13-methyl-17-(1-oxopropylamino)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [16-hydroxy-13-methyl-17-(propanoylamino)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid (16-hydroxy-13-methyl-17-propionamido-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) ester Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1C(CC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C)O

Isomeric SMILES

CCC(=O)NC1C(CC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C)O

InChI

InChI=1S/C28H33NO4/c1-3-25(31)29-26-24(30)16-23-22-11-9-18-15-19(33-27(32)17-7-5-4-6-8-17)10-12-20(18)21(22)13-14-28(23,26)2/h4-8,10,12,15,21-24,26,30H,3,9,11,13-14,16H2,1-2H3,(H,29,31)