[(8R,9S,10R,13S,14S,16S,17R)-17-ethanoyl-10,13,16-trimethyl-3-oxidanylidene-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] 4-methylbenzoate

Systemtic Name: [(8R,9S,10R,13S,14S,16S,17R)-17-ethanoyl-10,13,16-trimethyl-3-oxidanylidene-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] 4-methylbenzoate Openeye Name: [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-10,13,16-trimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-10,13,16-trimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-10,13,16-trimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-3-keto-10,13,16-trimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] ester Formula: C30H34O4 MolecularWeight: 458.58856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1C[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)OC(=O)C5=CC=C(C=C5)C)C)C

InChI

InChI=1S/C30H34O4/c1-18-6-8-21(9-7-18)27(33)34-30(20(3)31)19(2)16-26-24-11-10-22-17-23(32)12-14-28(22,4)25(24)13-15-29(26,30)5/h6-12,14,17,19,24-26H,13,15-16H2,1-5H3/t19-,24+,25-,26-,28-,29-,30-/m0/s1