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(2R,3S,6E)-3,7,11-trimethyl-5-(phenylsulfonyl)dodeca-6,10-diene-2,3-diol
SpectraBase Compound ID BdTDei6jEVb
InChI InChI=1S/C21H32O4S/c1-16(2)10-9-11-17(3)14-20(15-21(5,23)18(4)22)26(24,25)19-12-7-6-8-13-19/h6-8,10,12-14,18,20,22-23H,9,11,15H2,1-5H3/b17-14+/t18-,20?,21+/m1/s1
InChIKey WRRDFKIEMLGFNO-GXSIVPSMSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O4S
Exact Mass 380.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJW1hzWx3bY
Name (2R,3S,6E)-3,7,11-trimethyl-5-(phenylsulfonyl)dodeca-6,10-diene-2,3-diol
CAS Registry Number 128329-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4S
InChI InChI=1S/C21H32O4S/c1-16(2)10-9-11-17(3)14-20(15-21(5,23)18(4)22)26(24,25)19-12-7-6-8-13-19/h6-8,10,12-14,18,20,22-23H,9,11,15H2,1-5H3/b17-14+/t18-,20?,21+/m1/s1
InChIKey WRRDFKIEMLGFNO-GXSIVPSMSA-N
Molecular Weight 380.543 g/mol
SMILES O[C@@]([C@](CC(S(=O)(=O)c1ccccc1)\C=C\(CCC=C(C)C)C)(O)C)(C)[H]
SPLASH splash10-0uy0-9483000000-831352eca1df0a4c105b
Source of Spectrum C-112-5286-31
Synonyms (2R,3S,6E)-5-(benzenesulfonyl)-3,7,11-trimethyl-dodeca-6,10-diene-2,3-diol (2R,3S,6E)-5-besyl-3,7,11-trimethyl-dodeca-6,10-diene-2,3-diol
Wiley ID 1359721