2-(9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-pentanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-pentanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-pentanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-acetic acid CAS Name: 2-[9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(1-oxopentoxy)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid IUPAC Name: 2-(9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-pentanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid Traditional Name: 2-(9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-17-valeryloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-keto-acetic acid Formula: C27H35FO7 MolecularWeight: 490.561003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35FO7/c1-5-6-7-21(31)35-27(22(32)23(33)34)15(2)12-19-18-9-8-16-13-17(29)10-11-24(16,3)26(18,28)20(30)14-25(19,27)4/h10-11,13,15,18-20,30H,5-9,12,14H2,1-4H3,(H,33,34)