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(1R,4S)-4-[[(1R,2S,3S)-3-hydroxy-2-methyl-1-phenyloctyl]sulfanylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one
SpectraBase Compound ID 3vn5ouxJv0h
InChI InChI=1S/C25H38O2S/c1-5-6-8-13-21(26)18(2)23(19-11-9-7-10-12-19)28-17-25-15-14-20(16-22(25)27)24(25,3)4/h7,9-12,18,20-21,23,26H,5-6,8,13-17H2,1-4H3/t18-,20+,21-,23+,25+/m0/s1
InChIKey DZDVZXPKRVPKRI-OUDZHVFCSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O2S
Exact Mass 402.259252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0T3dFzf0yN
Name (1R,4S)-4-[[(1R,2S,3S)-3-hydroxy-2-methyl-1-phenyloctyl]sulfanylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O2S
InChI InChI=1S/C25H38O2S/c1-5-6-8-13-21(26)18(2)23(19-11-9-7-10-12-19)28-17-25-15-14-20(16-22(25)27)24(25,3)4/h7,9-12,18,20-21,23,26H,5-6,8,13-17H2,1-4H3/t18-,20+,21-,23+,25+/m0/s1
InChIKey DZDVZXPKRVPKRI-OUDZHVFCSA-N
Molecular Weight 402.637 g/mol
SMILES O[C@]([C@@]([C@@](SC[C@@]12C([C@]([H])(CC2)CC1=O)(C)C)(c1ccccc1)[H])(C)[H])(CCCCC)[H]
SPLASH splash10-082c-9850000000-c280fec53f0093dec5e0
Source of Spectrum KD-16-1667-3
Synonyms (1R,4S)-4-[[[(1R,2S,3S)-3-hydroxy-2-methyl-1-phenyloctyl]thio]methyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanone (1R,4S)-7,7-dimethyl-4-[[(1R,2S,3S)-2-methyl-3-oxidanyl-1-phenyl-octyl]sulfanylmethyl]bicyclo[2.2.1]heptan-3-one (1S,4R)-1-[[(1R,2S,3S)-3-hydroxy-2-methyl-1-phenyl-octyl]sulfanylmethyl]-7,7-dimethyl-norbornan-2-one (1S,4R)-1-[[[(1R,2S,3S)-3-hydroxy-2-methyl-1-phenyl-octyl]thio]methyl]-7,7-dimethyl-norbornan-2-one
Wiley ID 1637697