5-[2-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]-3-(4-hydroxyphenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]-3-(4-hydroxyphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethoxy]-3-(4-hydroxyphenyl)-5-oxo-pentanoic acid CAS Name: 5-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-3-(4-hydroxyphenyl)-5-oxopentanoic acid IUPAC Name: 5-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-3-(4-hydroxyphenyl)-5-oxopentanoic acid Traditional Name: 5-[2-(11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-keto-ethoxy]-3-(4-hydroxyphenyl)-5-keto-valeric acid Formula: C32H40O9 MolecularWeight: 568.6546

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CC(CC(=O)O)C5=CC=C(C=C5)O)O)C)O

Isomeric SMILES

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CC(CC(=O)O)C5=CC=C(C=C5)O)O)C)O

InChI

InChI=1S/C32H40O9/c1-30-11-9-22(34)15-20(30)5-8-23-24-10-12-32(40,31(24,2)16-25(35)29(23)30)26(36)17-41-28(39)14-19(13-27(37)38)18-3-6-21(33)7-4-18/h3-4,6-7,15,19,23-25,29,33,35,40H,5,8-14,16-17H2,1-2H3,(H,37,38)