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

Systemtic Name: [17-(fluoranylmethylsulfanylcarbonyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate Openeye Name: [17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate CAS Name: propanoic acid [17-[(fluoromethylthio)-oxomethyl]-11-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate Traditional Name: propionic acid [17-(fluoromethylthio)carbonyl-11-hydroxy-3-keto-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C25H35FO5S MolecularWeight: 466.605803

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(C(CC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C)C(=O)SCF

Isomeric SMILES

CCC(=O)OC1(C(CC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C)C(=O)SCF

InChI

InChI=1S/C25H35FO5S/c1-5-20(29)31-25(22(30)32-13-26)14(2)10-18-17-7-6-15-11-16(27)8-9-23(15,3)21(17)19(28)12-24(18,25)4/h11,14,17-19,21,28H,5-10,12-13H2,1-4H3