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[1R-[1.beta.(1R*,3R*),3a.alpha.,4.beta.,7a.beta.)]]-.alpha.-[4-(1-ethoxyethoxy)-3-fluoro-4-methylpentyl]octahydro-4-[(tetrahydro-2H-pyran-2-yl)oxy]-7a-methyl-1H-indene-1-ethanol
SpectraBase Compound ID A7fhdIu5qj9
InChI InChI=1S/C27H49FO5/c1-6-30-18-19-32-25(2,3)23(28)14-16-27(5,29)22-13-12-20-21(10-9-15-26(20,22)4)33-24-11-7-8-17-31-24/h20-24,29H,6-19H2,1-5H3/t20-,21-,22?,23+,24?,26-,27+/m0/s1
InChIKey UIDGAWKYLPRCAX-MHTNVNRCSA-N
Mol Weight 472.7 g/mol
Molecular Formula C27H49FO5
Exact Mass 472.356403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRljZWd5TCj
Name [1R-[1.beta.(1R*,3R*),3a.alpha.,4.beta.,7a.beta.)]]-.alpha.-[4-(1-ethoxyethoxy)-3-fluoro-4-methylpentyl]octahydro-4-[(tetrahydro-2H-pyran-2-yl)oxy]-7a-methyl-1H-indene-1-ethanol
CAS Registry Number 112138-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H49FO5
InChI InChI=1S/C27H49FO5/c1-6-30-18-19-32-25(2,3)23(28)14-16-27(5,29)22-13-12-20-21(10-9-15-26(20,22)4)33-24-11-7-8-17-31-24/h20-24,29H,6-19H2,1-5H3/t20-,21-,22?,23+,24?,26-,27+/m0/s1
InChIKey UIDGAWKYLPRCAX-MHTNVNRCSA-N
Molecular Weight 472.682 g/mol
SMILES O[C@@](C1[C@@]2([C@]([C@@](OC3OCCCC3)(CCC2)[H])(CC1)[H])C)(CC[C@](C(OCCOCC)(C)C)(F)[H])C
SPLASH splash10-000i-9000000000-d9a750ac59557aebe6a4
Source of Spectrum J-53-1044-21
Synonyms (2R,5R)-2-[(3aR,4S,7aS)-7a-methyl-4-(tetrahydro-2H-pyran-2-yloxy)octahydro-1H-inden-1-yl]-6-(2-ethoxyethoxy)-5-fluoro-6-methyl-2-heptanol
Wiley ID 1393413