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syn-(3S,5S)-3-[(1S,4R)-2-Oxobornane-10-sulfenyl]-5-undecanol
SpectraBase Compound ID KmO0WWfI3tY
InChI InChI=1S/C21H38O2S/c1-5-7-8-9-10-17(22)14-18(6-2)24-15-21-12-11-16(13-19(21)23)20(21,3)4/h16-18,22H,5-15H2,1-4H3/t16-,17+,18+,21-/m1/s1
InChIKey HITWHKJZINUCMZ-OEMYIYORSA-N
Mol Weight 354.6 g/mol
Molecular Formula C21H38O2S
Exact Mass 354.259252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlRCNuKxKM
Name syn-(3S,5S)-3-[(1S,4R)-2-Oxobornane-10-sulfenyl]-5-undecanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O2S
InChI InChI=1S/C21H38O2S/c1-5-7-8-9-10-17(22)14-18(6-2)24-15-21-12-11-16(13-19(21)23)20(21,3)4/h16-18,22H,5-15H2,1-4H3/t16-,17+,18+,21-/m1/s1
InChIKey HITWHKJZINUCMZ-OEMYIYORSA-N
Molecular Weight 354.593 g/mol
SMILES O[C@](C[C@](CC)(SC[C@]12C(C[C@@](CC2)(C1(C)C)[H])=O)[H])(CCCCCC)[H]
SPLASH splash10-0ce9-9610000000-bbd3357f9333ff9ce5c5
Source of Spectrum KD-15-899-4
Synonyms anti-(3S,5S)-3-[(1S,4R)-2-Oxobornane-10-sulfenyl]-5-undecanol (1S,4R)-1-({[(1S,3S)-1-ethyl-3-hydroxynonyl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Wiley ID 1636859