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(8R,9S,13S,14S,16S,17R)-2-fluoranyl-3-(methoxymethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol

View entire compound with spectra: 1 MS (GC)

(8R,9S,13S,14S,16S,17R)-2-fluoranyl-3-(methoxymethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
SpectraBase Compound ID 5pjxq3a2BaT
InChI InChI=1S/C20H27FO4/c1-20-6-5-12-13(15(20)9-17(22)19(20)23)4-3-11-7-18(25-10-24-2)16(21)8-14(11)12/h7-8,12-13,15,17,19,22-23H,3-6,9-10H2,1-2H3/t12-,13+,15-,17-,19-,20-/m0/s1
InChIKey NOUSXUOLMOANHA-MBHKOEBVSA-N
Mol Weight 350.43 g/mol
Molecular Formula C20H27FO4
Exact Mass 350.189338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AAgdeszXnM
Name (8R,9S,13S,14S,16S,17R)-2-fluoranyl-3-(methoxymethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
Alternate Name(s) (8R,9S,13S,14S,16S,17R)-2-fluoro-3-(methoxymethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
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Formula C20H27FO4
InChI InChI=1S/C20H27FO4/c1-20-6-5-12-13(15(20)9-17(22)19(20)23)4-3-11-7-18(25-10-24-2)16(21)8-14(11)12/h7-8,12-13,15,17,19,22-23H,3-6,9-10H2,1-2H3/t12-,13+,15-,17-,19-,20-/m0/s1
InChIKey NOUSXUOLMOANHA-MBHKOEBVSA-N
Molecular Weight 350.430 g/mol
SMILES O[C@]1([C@](C[C@@]2([C@@]1(CC[C@@]1(c3c(CC[C@@]21[H])cc(c(c3)F)OCOC)[H])C)[H])(O)[H])[H]
SPLASH splash10-0uk9-0009000000-34ed3c0b6fa440182d24
Source of Spectrum K-2002-662-13
Wiley ID 1580965