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

Systemtic Name: [(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-7,16-bis(oxidanylidene)-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate Openeye Name: [(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-7,16-dioxo-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate CAS Name: propanoic acid [(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-7,16-dioxo-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-7,16-dioxo-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate Traditional Name: propionic acid [(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-7,16-diketo-10,13-dimethyl-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C22H30O5 MolecularWeight: 374.4706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CCC2(C3CCC4(C(C3C(=O)C=C2C1)CC(=O)C4O)C)C

Isomeric SMILES

CCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C=C2C1)CC(=O)[C@@H]4O)C)C

InChI

InChI=1S/C22H30O5/c1-4-18(25)27-13-5-7-21(2)12(9-13)10-16(23)19-14(21)6-8-22(3)15(19)11-17(24)20(22)26/h10,13-15,19-20,26H,4-9,11H2,1-3H3/t13-,14-,15-,19+,20-,21-,22-/m0/s1