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anti-(4S,6S)-4-[(1S,4R)-2-Oxobornane-10-sulfenyl]-6-tetradecanol
SpectraBase Compound ID KARmcKASvBV
InChI InChI=1S/C24H44O2S/c1-5-7-8-9-10-11-13-20(25)17-21(12-6-2)27-18-24-15-14-19(16-22(24)26)23(24,3)4/h19-21,25H,5-18H2,1-4H3/t19-,20+,21+,24-/m1/s1
InChIKey KGWVNFNVFNRAGH-MDAIXWLXSA-N
Mol Weight 396.7 g/mol
Molecular Formula C24H44O2S
Exact Mass 396.306202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5iX3aePXQm
Name anti-(4S,6S)-4-[(1S,4R)-2-Oxobornane-10-sulfenyl]-6-tetradecanol
Alternate Name(s) (1S,4R)-1-({[(1S,3S)-3-hydroxy-1-propylundecyl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H44O2S
InChI InChI=1S/C24H44O2S/c1-5-7-8-9-10-11-13-20(25)17-21(12-6-2)27-18-24-15-14-19(16-22(24)26)23(24,3)4/h19-21,25H,5-18H2,1-4H3/t19-,20+,21+,24-/m1/s1
InChIKey KGWVNFNVFNRAGH-MDAIXWLXSA-N
Molecular Weight 396.674 g/mol
SMILES O[C@](C[C@](CCC)(SC[C@]12C(C[C@@](CC2)(C1(C)C)[H])=O)[H])(CCCCCCCC)[H]
SPLASH splash10-0ap0-9610000000-5d7257dde4a64a279487
Source of Spectrum KD-15-900-4
Wiley ID 1636851