[(8S,11R,13S,14S,17R)-17-ethanoyl-11-(4-ethanoylphenyl)-13-ethyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(8S,11R,13S,14S,17R)-17-ethanoyl-11-(4-ethanoylphenyl)-13-ethyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(8S,11R,13S,14S,17R)-17-acetyl-11-(4-acetylphenyl)-13-ethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(8S,11R,13S,14S,17R)-17-acetyl-11-(4-acetylphenyl)-13-ethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8S,11R,13S,14S,17R)-17-acetyl-11-(4-acetylphenyl)-13-ethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(8S,11R,13S,14S,17R)-17-acetyl-11-(4-acetylphenyl)-13-ethyl-3-keto-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C31H36O5 MolecularWeight: 488.61454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C(=O)C)OC(=O)C)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(C(=O)C)OC(=O)C)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C31H36O5/c1-5-30-17-27(22-8-6-21(7-9-22)18(2)32)29-25-13-11-24(35)16-23(25)10-12-26(29)28(30)14-15-31(30,19(3)33)36-20(4)34/h6-9,16,26-28H,5,10-15,17H2,1-4H3/t26-,27+,28-,30-,31-/m0/s1