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

Systemtic Name: 5-[[10,13-dimethyl-12,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-(4-hydroxyphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-(4-hydroxyphenyl)-5-oxo-pentanoic acid CAS Name: 5-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-(4-hydroxyphenyl)-5-oxopentanoic acid IUPAC Name: 5-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-(4-hydroxyphenyl)-5-oxopentanoic acid Traditional Name: 5-[[12,14-dihydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-(4-hydroxyphenyl)-5-keto-valeric acid Formula: C34H44O9 MolecularWeight: 596.70776

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)OC(=O)CC(CC(=O)O)C6=CC=C(C=C6)O

Isomeric SMILES

CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)OC(=O)CC(CC(=O)O)C6=CC=C(C=C6)O

InChI

InChI=1S/C34H44O9/c1-32-11-9-24(43-31(40)14-20(13-29(37)38)19-3-6-23(35)7-4-19)16-22(32)5-8-26-27(32)17-28(36)33(2)25(10-12-34(26,33)41)21-15-30(39)42-18-21/h3-4,6-7,15,20,22,24-28,35-36,41H,5,8-14,16-18H2,1-2H3,(H,37,38)