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[(2R,3R)-2-methyl-3-[(3E,7E,11E)-3,7,11-trimethyl-13-(phenylthio)trideca-3,7,11-trienyl]-2-oxiranyl]methanol
SpectraBase Compound ID E3xL4e6FawO
InChI InChI=1S/C26H38O2S/c1-21(10-8-12-22(2)16-17-25-26(4,20-27)28-25)11-9-13-23(3)18-19-29-24-14-6-5-7-15-24/h5-7,11-12,14-15,18,25,27H,8-10,13,16-17,19-20H2,1-4H3/b21-11+,22-12+,23-18+/t25-,26-/m1/s1
InChIKey VTZHVHSEXQLQDD-BGDLAGMDSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O2S
Exact Mass 414.259252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fek3lcGyg83
Name [(2R,3R)-2-methyl-3-[(3E,7E,11E)-3,7,11-trimethyl-13-(phenylthio)trideca-3,7,11-trienyl]-2-oxiranyl]methanol
CAS Registry Number 132274-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O2S
InChI InChI=1S/C26H38O2S/c1-21(10-8-12-22(2)16-17-25-26(4,20-27)28-25)11-9-13-23(3)18-19-29-24-14-6-5-7-15-24/h5-7,11-12,14-15,18,25,27H,8-10,13,16-17,19-20H2,1-4H3/b21-11+,22-12+,23-18+/t25-,26-/m1/s1
InChIKey VTZHVHSEXQLQDD-BGDLAGMDSA-N
Molecular Weight 414.648 g/mol
SMILES OC[C@]1(O[C@@]1(CC\C(=C\CC\C(=C\CC\C(=C\CSc1ccccc1)C)C)C)[H])C
SPLASH splash10-0536-9500000000-50f16f2a994e556b7299
Source of Spectrum QC-10-1883-14
Synonyms [(2R,3R)-2-methyl-3-[(3E,7E,11E)-3,7,11-trimethyl-13-(phenylthio)trideca-3,7,11-trienyl]oxiran-2-yl]methanol [(2R,3R)-2-methyl-3-[(3E,7E,11E)-3,7,11-trimethyl-13-phenylsulfanyl-trideca-3,7,11-trienyl]oxiran-2-yl]methanol
Wiley ID 871339