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(8S,9S,11S,13S,14S,16R)-2,16-bis(fluoranyl)-11-methoxy-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 4ado9qCuRYY
InChI InChI=1S/C19H22F2O3/c1-19-8-16(24-2)17-10(12(19)7-14(21)18(19)23)4-3-9-5-15(22)13(20)6-11(9)17/h5-6,10,12,14,16-17,22H,3-4,7-8H2,1-2H3/t10-,12-,14+,16-,17-,19-/m0/s1
InChIKey NTEUQESXWXKEKR-GHKALJIFSA-N
Mol Weight 336.38 g/mol
Molecular Formula C19H22F2O3
Exact Mass 336.153701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cd6F711PcSd
Name (8S,9S,11S,13S,14S,16R)-2,16-bis(fluoranyl)-11-methoxy-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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Formula C19H22F2O3
InChI InChI=1S/C19H22F2O3/c1-19-8-16(24-2)17-10(12(19)7-14(21)18(19)23)4-3-9-5-15(22)13(20)6-11(9)17/h5-6,10,12,14,16-17,22H,3-4,7-8H2,1-2H3/t10-,12-,14+,16-,17-,19-/m0/s1
InChIKey NTEUQESXWXKEKR-GHKALJIFSA-N
Molecular Weight 336.379 g/mol
SMILES Oc1c(cc2c(c1)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)C[C@@]([C@]21[H])(OC)[H])=O)(F)[H])[H])[H])F
SPLASH splash10-03y3-0439000000-c64b43f26499e3c0b723
Source of Spectrum K-2002-660-5
Synonyms (8S,9S,11S,13S,14S,16R)-2,16-difluoro-3-hydroxy-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Wiley ID 1580980