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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

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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
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 41CteaXpSHu
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 O[C@]1([C@](C[C@]2([C@@]3(CCc4c(ccc(c4)O)[C@]3(CC[C@]12C)[H])[H])[H])(F)[H])C#C
SPLASH splash10-03di-0095000000-f82e88c8d7546671e15d
Source of Spectrum E1-36-1627-8
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 1574654