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(8S,9S,11S,13S,14S,16R,17R)-2-fluoranyl-16-iodanyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 4zWZom1HYMW
InChI InChI=1S/C19H24FIO3/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/h5-6,10,12,14,16-18,22-23H,3-4,7-8H2,1-2H3/t10-,12-,14+,16-,17-,18-,19-/m0/s1
InChIKey GBTXXHUNCLKHOR-QEZUEPMASA-N
Mol Weight 446.3 g/mol
Molecular Formula C19H24FIO3
Exact Mass 446.075418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UW1wYWPoZb
Name (8S,9S,11S,13S,14S,16R,17R)-2-fluoranyl-16-iodanyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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Formula C19H24FIO3
InChI InChI=1S/C19H24FIO3/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/h5-6,10,12,14,16-18,22-23H,3-4,7-8H2,1-2H3/t10-,12-,14+,16-,17-,18-,19-/m0/s1
InChIKey GBTXXHUNCLKHOR-QEZUEPMASA-N
Molecular Weight 446.301 g/mol
SMILES O[C@]1([C@@](C[C@]2([C@@]3(CCc4c(cc(c(c4)O)F)[C@]3([C@](C[C@]12C)(OC)[H])[H])[H])[H])(I)[H])[H]
SPLASH splash10-00ls-0091300000-a848d489ef38ffc65a64
Source of Spectrum E1-36-4261-10
Synonyms (8S,9S,11S,13S,14S,16R,17R)-2-fluoro-16-iodo-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1574868