[(3S,5R,6R,8R,9S,10R,13S,14S)-5-methoxy-10,13-dimethyl-6-oxidanyl-17-oxidanylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,5R,6R,8R,9S,10R,13S,14S)-5-methoxy-10,13-dimethyl-6-oxidanyl-17-oxidanylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,5R,6R,8R,9S,10R,13S,14S)-6-hydroxy-5-methoxy-10,13-dimethyl-17-oxo-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,5R,6R,8R,9S,10R,13S,14S)-6-hydroxy-5-methoxy-10,13-dimethyl-17-oxo-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,6R,8R,9S,10R,13S,14S)-6-hydroxy-5-methoxy-10,13-dimethyl-17-oxo-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,5R,6R,8R,9S,10R,13S,14S)-6-hydroxy-17-keto-5-methoxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3CC(C2(C1)OC)O)CCC4=O)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@H]([C@]2(C1)OC)O)CCC4=O)C)C

InChI

InChI=1S/C22H34O5/c1-13(23)27-14-7-10-21(3)17-8-9-20(2)16(5-6-18(20)24)15(17)11-19(25)22(21,12-14)26-4/h14-17,19,25H,5-12H2,1-4H3/t14-,15-,16-,17-,19+,20-,21+,22-/m0/s1