9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-propanoyloxy-6,7,8,11,12,14-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Systemtic Name: 9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-propanoyloxy-6,7,8,11,12,14-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid Openeye Name: 9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid CAS Name: 9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(1-oxopropoxy)-6,7,8,11,12,14-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid IUPAC Name: 9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid Traditional Name: 9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-17-propionyloxy-6,7,8,11,12,14-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid Formula: C24H29FO6 MolecularWeight: 432.481863

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(C(=CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)O

Isomeric SMILES

CCC(=O)OC1(C(=CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)O

InChI

InChI=1S/C24H29FO6/c1-5-19(28)31-24(20(29)30)13(2)10-17-16-7-6-14-11-15(26)8-9-21(14,3)23(16,25)18(27)12-22(17,24)4/h8-11,16-18,27H,5-7,12H2,1-4H3,(H,29,30)