[1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-3,11-bis(oxidanylidene)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-1-oxidanyl-ethyl] 3-cyclopentylpropanoate

Systemtic Name: [1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-3,11-bis(oxidanylidene)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-1-oxidanyl-ethyl] 3-cyclopentylpropanoate Openeye Name: [1-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [1-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester IUPAC Name: [1-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [1-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-3,11-diketo-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester Formula: C29H42O6 MolecularWeight: 486.64018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(C)(O)OC(=O)CCC5CCCC5)O)C

Isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(C)(O)OC(=O)CCC5CCCC5)O)C

InChI

InChI=1S/C29H42O6/c1-26-14-12-20(30)16-19(26)9-10-21-22-13-15-29(34,27(22,2)17-23(31)25(21)26)28(3,33)35-24(32)11-8-18-6-4-5-7-18/h16,18,21-22,25,33-34H,4-15,17H2,1-3H3/t21-,22-,25+,26-,27-,28?,29+/m0/s1