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(8R,9S,13S,14S,16S,17R)-17-ethynyl-16-fluoranyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

View entire compound with spectra: 2 MS (GC)

(8R,9S,13S,14S,16S,17R)-17-ethynyl-16-fluoranyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 9WPyiL7pjfd
InChI InChI=1S/C20H23FO2/c1-3-20(23)18(21)11-17-16-6-4-12-10-13(22)5-7-14(12)15(16)8-9-19(17,20)2/h1,5,7,10,15-18,22-23H,4,6,8-9,11H2,2H3/t15-,16-,17+,18+,19+,20+/m1/s1
InChIKey IFDRGXJMFGLUCN-MILMJNAHSA-N
Mol Weight 314.4 g/mol
Molecular Formula C20H23FO2
Exact Mass 314.168208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kktfb6l2S2
Name (8R,9S,13S,14S,16S,17R)-17-ethynyl-16-fluoranyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CAS Registry Number 92817-12-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23FO2
InChI InChI=1S/C20H23FO2/c1-3-20(23)18(21)11-17-16-6-4-12-10-13(22)5-7-14(12)15(16)8-9-19(17,20)2/h1,5,7,10,15-18,22-23H,4,6,8-9,11H2,2H3/t15-,16-,17+,18+,19+,20+/m1/s1
InChIKey IFDRGXJMFGLUCN-MILMJNAHSA-N
Molecular Weight 314.400 g/mol
SMILES Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@@]([C@](C4)(F)[H])(C#C)O)(CC[C@]23[H])C)[H])[H])c1
SPLASH splash10-03di-0095000000-9b46e09ebff1c3716e79
Source of Spectrum J-49-4905-0
Synonyms (8R,9S,13S,14S,16S,17R)-17-ethynyl-16-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1315381