[(11S,17R)-17-(2-chloranyloxyethanoyl)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate

Systemtic Name: [(11S,17R)-17-(2-chloranyloxyethanoyl)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate Openeye Name: [(11S,17R)-17-(2-chlorooxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate CAS Name: propanoic acid [(11S,17R)-17-(2-chlorooxy-1-oxoethyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(11S,17R)-17-(2-chlorooxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate Traditional Name: propionic acid [(11S,17R)-17-(2-chlorooxyacetyl)-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester Formula: C24H31ClO6 MolecularWeight: 450.95234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COCl

Isomeric SMILES

CCC(=O)O[C@@]1(CCC2C1(C[C@@H](C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COCl

InChI

InChI=1S/C24H31ClO6/c1-4-20(29)31-24(19(28)13-30-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)21(16)18(27)12-23(17,24)3/h7,9,11,16-18,21,27H,4-6,8,10,12-13H2,1-3H3/t16?,17?,18-,21?,22?,23?,24-/m0/s1