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

Systemtic Name: [(5R,8R,9S,10R,13S,14S,17S)-4-chloranyl-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(5R,8R,9S,10R,13S,14S,17S)-4-chloro-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(5R,8R,9S,10R,13S,14S,17S)-4-chloro-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(5R,8R,9S,10R,13S,14S,17S)-4-chloro-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(5R,8R,9S,10R,13S,14S,17S)-4-chloro-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C21H31ClO2 MolecularWeight: 350.92264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CCC=C4Cl)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC=C4Cl)C)C

InChI

InChI=1S/C21H31ClO2/c1-13(23)24-19-9-8-15-14-6-7-17-18(22)5-4-11-20(17,2)16(14)10-12-21(15,19)3/h5,14-17,19H,4,6-12H2,1-3H3/t14-,15-,16-,17-,19-,20+,21-/m0/s1