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15(S)-Hydroxy-2-methyl-7(S)-methoxyhexadeca-2(E),4(E),10(E)-trienoic Acid
SpectraBase Compound ID A1MqvRWxVl4
InChI InChI=1S/C18H30O4/c1-15(18(20)21)11-9-10-14-17(22-3)13-8-6-4-5-7-12-16(2)19/h4,6,9-11,16-17,19H,5,7-8,12-14H2,1-3H3,(H,20,21)/b6-4+,10-9+,15-11+/t16-,17-/m0/s1
InChIKey LJVXSEXOYXPHPD-HMAWUHGVSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pgRhUDvngi
Name 15(S)-Hydroxy-2-methyl-7(S)-methoxyhexadeca-2(E),4(E),10(E)-trienoic Acid
Comments Less than 3 mono-isotopic peaks
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Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-15(18(20)21)11-9-10-14-17(22-3)13-8-6-4-5-7-12-16(2)19/h4,6,9-11,16-17,19H,5,7-8,12-14H2,1-3H3,(H,20,21)/b6-4+,10-9+,15-11+/t16-,17-/m0/s1
InChIKey LJVXSEXOYXPHPD-HMAWUHGVSA-N
Molecular Weight 310.434 g/mol
SMILES O[C@](CCC\C=C\CC[C@@](C\C=C\C=C\(C(=O)O)C)(OC)[H])(C)[H]
SPLASH splash10-014i-9000000000-8189cb2b2cbfa918dc83
Source of Spectrum G4-64-477-2
Synonyms (2E,4E,7S,10E,15S)-15-hydroxy-7-methoxy-2-methylhexadeca-2,4,10-trienoic acid (2E,4E,7S,10E,15S)-7-methoxy-2-methyl-15-oxidanyl-hexadeca-2,4,10-trienoic acid
Wiley ID 1608883