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4,8,12-Trimethyl-11-hydroxy-13-(2'-methylthiazol-4'-yl)-tridecadeca-8,12-dien-3-one

View entire compound with spectra: 1 MS (GC)

4,8,12-Trimethyl-11-hydroxy-13-(2'-methylthiazol-4'-yl)-tridecadeca-8,12-dien-3-one
SpectraBase Compound ID LkzT1hE2CkZ
InChI InChI=1S/C20H31NO2S/c1-6-19(22)15(3)9-7-8-14(2)10-11-20(23)16(4)12-18-13-24-17(5)21-18/h10,12-13,15,20,23H,6-9,11H2,1-5H3/b14-10-,16-12+/t15-,20-/m0/s1
InChIKey KJCICXVOGJMFPE-SCKJGMHESA-N
Mol Weight 349.53 g/mol
Molecular Formula C20H31NO2S
Exact Mass 349.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvoysTLukEf
Name 4,8,12-Trimethyl-11-hydroxy-13-(2'-methylthiazol-4'-yl)-tridecadeca-8,12-dien-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO2S
InChI InChI=1S/C20H31NO2S/c1-6-19(22)15(3)9-7-8-14(2)10-11-20(23)16(4)12-18-13-24-17(5)21-18/h10,12-13,15,20,23H,6-9,11H2,1-5H3/b14-10-,16-12+/t15-,20-/m0/s1
InChIKey KJCICXVOGJMFPE-SCKJGMHESA-N
Molecular Weight 349.533 g/mol
SMILES O[C@](\C(=C\c1nc(sc1)C)C)(C\C=C/(CCC[C@@](C(=O)CC)(C)[H])C)[H]
SPLASH splash10-014i-0900000000-52b911e91689a6ec2671
Source of Spectrum G4-64-856-39
Synonyms (4S,8Z,11S,12E)-11-hydroxy-4,8,12-trimethyl-13-(2-methyl-4-thiazolyl)-3-trideca-8,12-dienone (4S,8Z,11S,12E)-11-hydroxy-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one (4S,8Z,11S,12E)-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)-11-oxidanyl-trideca-8,12-dien-3-one
Wiley ID 1609083