[(16S,17R)-17-ethanoyl-10,13,16-trimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-phenylethanoate

Systemtic Name: [(16S,17R)-17-ethanoyl-10,13,16-trimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-phenylethanoate Openeye Name: [(16S,17R)-17-acetyl-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(16S,17R)-17-acetyl-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(16S,17R)-17-acetyl-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(16S,17R)-17-acetyl-3-keto-10,13,16-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C30H36O4 MolecularWeight: 460.60444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3C=CC4=CC(=O)CCC4(C3CCC2(C1(C(=O)C)OC(=O)CC5=CC=CC=C5)C)C

Isomeric SMILES

C[C@H]1CC2C3C=CC4=CC(=O)CCC4(C3CCC2([C@]1(C(=O)C)OC(=O)CC5=CC=CC=C5)C)C

InChI

InChI=1S/C30H36O4/c1-19-16-26-24-11-10-22-18-23(32)12-14-28(22,3)25(24)13-15-29(26,4)30(19,20(2)31)34-27(33)17-21-8-6-5-7-9-21/h5-11,18-19,24-26H,12-17H2,1-4H3/t19-,24?,25?,26?,28?,29?,30-/m0/s1