3-ethoxy-10,13-dimethyl-17-oxidanyl-11-oxidanylidene-8,9,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-17-carboxylic acid

Systemtic Name: 3-ethoxy-10,13-dimethyl-17-oxidanyl-11-oxidanylidene-8,9,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-17-carboxylic acid Openeye Name: 3-ethoxy-17-hydroxy-10,13-dimethyl-11-oxo-8,9,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-17-carboxylic acid CAS Name: 3-ethoxy-17-hydroxy-10,13-dimethyl-11-oxo-8,9,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-17-carboxylic acid IUPAC Name: 3-ethoxy-17-hydroxy-10,13-dimethyl-11-oxo-8,9,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-17-carboxylic acid Traditional Name: 3-ethoxy-17-hydroxy-11-keto-10,13-dimethyl-8,9,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthrene-17-carboxylic acid Formula: C22H28O5 MolecularWeight: 372.45472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CCC3C4CCC(C4(CC(=O)C3C2(C=C1)C)C)(C(=O)O)O

Isomeric SMILES

CCOC1=CC2=CCC3C4CCC(C4(CC(=O)C3C2(C=C1)C)C)(C(=O)O)O

InChI

InChI=1S/C22H28O5/c1-4-27-14-7-9-20(2)13(11-14)5-6-15-16-8-10-22(26,19(24)25)21(16,3)12-17(23)18(15)20/h5,7,9,11,15-16,18,26H,4,6,8,10,12H2,1-3H3,(H,24,25)