4-[10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-oxidanyl-butanoic acid Openeye Name: 4-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-hydroxy-butanoic acid CAS Name: 4-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-hydroxybutanoic acid IUPAC Name: 4-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-hydroxybutanoic acid Traditional Name: 4-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-hydroxy-butyric acid Formula: C23H36O5 MolecularWeight: 392.52894

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1=CCC3C2CCC4(C3CCC4(CC(CC(=O)O)O)O)C)O

Isomeric SMILES

CC12CCC(CC1=CCC3C2CCC4(C3CCC4(CC(CC(=O)O)O)O)C)O

InChI

InChI=1S/C23H36O5/c1-21-8-5-15(24)11-14(21)3-4-17-18(21)6-9-22(2)19(17)7-10-23(22,28)13-16(25)12-20(26)27/h3,15-19,24-25,28H,4-13H2,1-2H3,(H,26,27)