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

Systemtic Name: 9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid Openeye Name: 9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid CAS Name: 9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid IUPAC Name: 9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid Traditional Name: 9-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid Formula: C21H25FO5 MolecularWeight: 376.418603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)O)O)C)O)F)C

Isomeric SMILES

CC1=CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)O)O)C)O)F)C

InChI

InChI=1S/C21H25FO5/c1-11-8-15-14-5-4-12-9-13(23)6-7-18(12,2)20(14,22)16(24)10-19(15,3)21(11,27)17(25)26/h6-9,14-16,24,27H,4-5,10H2,1-3H3,(H,25,26)