3-[17-ethanoyl-10,13,16-trimethyl-2,2-bis(oxidanyl)-3-oxidanylidene-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]propanoate

Systemtic Name: 3-[17-ethanoyl-10,13,16-trimethyl-2,2-bis(oxidanyl)-3-oxidanylidene-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]propanoate Openeye Name: 3-(17-acetyl-2,2-dihydroxy-10,13,16-trimethyl-3-oxo-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)propanoate CAS Name: 3-(17-acetyl-2,2-dihydroxy-10,13,16-trimethyl-3-oxo-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)propanoate IUPAC Name: 3-(17-acetyl-2,2-dihydroxy-10,13,16-trimethyl-3-oxo-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)propanoate Traditional Name: 3-(17-acetyl-2,2-dihydroxy-3-keto-10,13,16-trimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)propionate Formula: C25H35O6- MolecularWeight: 431.5418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C(CC4(C3CCC2(C1(CCC(=O)[O-])C(=O)C)C)C)(O)O

Isomeric SMILES

CC1CC2C3CCC4=CC(=O)C(CC4(C3CCC2(C1(CCC(=O)[O-])C(=O)C)C)C)(O)O

InChI

InChI=1S/C25H36O6/c1-14-11-19-17-6-5-16-12-20(27)25(30,31)13-22(16,3)18(17)7-9-23(19,4)24(14,15(2)26)10-8-21(28)29/h12,14,17-19,30-31H,5-11,13H2,1-4H3,(H,28,29)/p-1