ethyl (6R,8S,9S,10R,11S,13S,14S,17R)-17-[2,2-bis(chloranyl)ethanoyloxy]-10,13-dimethyl-6,11-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate

Systemtic Name: ethyl (6R,8S,9S,10R,11S,13S,14S,17R)-17-[2,2-bis(chloranyl)ethanoyloxy]-10,13-dimethyl-6,11-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate Openeye Name: ethyl (6R,8S,9S,10R,11S,13S,14S,17R)-17-(2,2-dichloroacetyl)oxy-6,11-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate CAS Name: (6R,8S,9S,10R,11S,13S,14S,17R)-17-(2,2-dichloro-1-oxoethoxy)-6,11-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid ethyl ester IUPAC Name: ethyl (6R,8S,9S,10R,11S,13S,14S,17R)-17-(2,2-dichloroacetyl)oxy-6,11-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate Traditional Name: (6R,8S,9S,10R,11S,13S,14S,17R)-17-(2,2-dichloroacetyl)oxy-6,11-dihydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid ethyl ester Formula: C24H30Cl2O7 MolecularWeight: 501.3968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)O)O)C)OC(=O)C(Cl)Cl

Isomeric SMILES

CCOC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@H](C4=CC(=O)C=C[C@]34C)O)O)C)OC(=O)C(Cl)Cl

InChI

InChI=1S/C24H30Cl2O7/c1-4-32-21(31)24(33-20(30)19(25)26)8-6-14-13-10-16(28)15-9-12(27)5-7-22(15,2)18(13)17(29)11-23(14,24)3/h5,7,9,13-14,16-19,28-29H,4,6,8,10-11H2,1-3H3/t13-,14-,16+,17-,18+,22-,23-,24-/m0/s1