(17R)-17-ethoxycarbonyloxy-10-methyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Systemtic Name: (17R)-17-ethoxycarbonyloxy-10-methyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid Openeye Name: (17R)-17-ethoxycarbonyloxy-11-hydroxy-10-methyl-3-oxo-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid CAS Name: (17R)-17-ethoxycarbonyloxy-11-hydroxy-10-methyl-3-oxo-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid IUPAC Name: (17R)-17-ethoxycarbonyloxy-11-hydroxy-10-methyl-3-oxo-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid Traditional Name: (17R)-17-carbethoxyoxy-11-hydroxy-3-keto-10-methyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid Formula: C22H28O7 MolecularWeight: 404.45352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1(CCC2C1CC(C3C2CCC4=CC(=O)C=CC34C)O)C(=O)O

Isomeric SMILES

CCOC(=O)O[C@@]1(CCC2C1CC(C3C2CCC4=CC(=O)C=CC34C)O)C(=O)O

InChI

InChI=1S/C22H28O7/c1-3-28-20(27)29-22(19(25)26)9-7-14-15-5-4-12-10-13(23)6-8-21(12,2)18(15)17(24)11-16(14)22/h6,8,10,14-18,24H,3-5,7,9,11H2,1-2H3,(H,25,26)/t14?,15?,16?,17?,18?,21?,22-/m1/s1