methyl 9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-propanoyloxy-1,2,6,7,8,11,12,14-octahydrocyclopenta[a]phenanthrene-17-carboxylate

Systemtic Name: methyl 9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-propanoyloxy-1,2,6,7,8,11,12,14-octahydrocyclopenta[a]phenanthrene-17-carboxylate Openeye Name: methyl 9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-1,2,6,7,8,11,12,14-octahydrocyclopenta[a]phenanthrene-17-carboxylate CAS Name: 9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(1-oxopropoxy)-1,2,6,7,8,11,12,14-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester IUPAC Name: methyl 9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-1,2,6,7,8,11,12,14-octahydrocyclopenta[a]phenanthrene-17-carboxylate Traditional Name: 9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-17-propionyloxy-1,2,6,7,8,11,12,14-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester Formula: C25H33FO6 MolecularWeight: 448.524323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(C(=CC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C)C)C(=O)OC

Isomeric SMILES

CCC(=O)OC1(C(=CC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C)C)C(=O)OC

InChI

InChI=1S/C25H33FO6/c1-6-20(29)32-25(21(30)31-5)14(2)11-18-17-8-7-15-12-16(27)9-10-22(15,3)24(17,26)19(28)13-23(18,25)4/h11-12,17-19,28H,6-10,13H2,1-5H3