2-[3-(carboxymethyloxy)-5-[3-(10,13-dimethyl-17-oxidanyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl)propyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-(carboxymethyloxy)-5-[3-(10,13-dimethyl-17-oxidanyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl)propyl]phenoxy]ethanoic acid Openeye Name: 2-[3-(carboxymethyloxy)-5-[3-(17-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl)propyl]phenoxy]acetic acid CAS Name: 2-[3-(carboxymethyloxy)-5-[3-(17-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl)propyl]phenoxy]acetic acid IUPAC Name: 2-[3-(carboxymethyloxy)-5-[3-(17-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl)propyl]phenoxy]acetic acid Traditional Name: 2-[3-(carboxymethyloxy)-5-[3-(17-hydroxy-3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl)propyl]phenoxy]acetic acid Formula: C32H44O8 MolecularWeight: 556.68696

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)CC1CCC3C2C(CC4(C3CCC4O)C)CCCC5=CC(=CC(=C5)OCC(=O)O)OCC(=O)O

Isomeric SMILES

CC12CCC(=O)CC1CCC3C2C(CC4(C3CCC4O)C)CCCC5=CC(=CC(=C5)OCC(=O)O)OCC(=O)O

InChI

InChI=1S/C32H44O8/c1-31-11-10-22(33)14-21(31)6-7-25-26-8-9-27(34)32(26,2)16-20(30(25)31)5-3-4-19-12-23(39-17-28(35)36)15-24(13-19)40-18-29(37)38/h12-13,15,20-21,25-27,30,34H,3-11,14,16-18H2,1-2H3,(H,35,36)(H,37,38)