[(8R,9S,10R,13S,14S,17R)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 4-methylbenzoate

Systemtic Name: [(8R,9S,10R,13S,14S,17R)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 4-methylbenzoate Openeye Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C29H36O4 MolecularWeight: 448.59374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2(CCC3C2(CCC4C3CCC5=CC(=O)CCC45C)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)C(=O)C

InChI

InChI=1S/C29H36O4/c1-18-5-7-20(8-6-18)26(32)33-29(19(2)30)16-13-25-23-10-9-21-17-22(31)11-14-27(21,3)24(23)12-15-28(25,29)4/h5-8,17,23-25H,9-16H2,1-4H3/t23-,24+,25+,27+,28+,29+/m1/s1