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(Z)-14-Methyl-hexadec-2-enoic acid {(Z)-2-[4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phenyl]-vinyl}-amide

View entire compound with spectra: 1 MS (GC)

(Z)-14-Methyl-hexadec-2-enoic acid {(Z)-2-[4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phenyl]-vinyl}-amide
SpectraBase Compound ID IqP253rDNNY
InChI InChI=1S/C31H49NO6/c1-4-23(2)15-13-11-9-7-5-6-8-10-12-14-16-27(33)32-22-21-25-17-19-26(20-18-25)38-31-30(36)29(35)28(34)24(3)37-31/h14,16-24,28-31,34-36H,4-13,15H2,1-3H3,(H,32,33)/b16-14-,22-21-/t23?,24-,28-,29+,30+,31-/m0/s1
InChIKey VAUHVVUBDTVYRD-LEJXBQSYSA-N
Mol Weight 531.7 g/mol
Molecular Formula C31H49NO6
Exact Mass 531.355988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgrIqDXwB3n
Name (Z)-14-Methyl-hexadec-2-enoic acid {(Z)-2-[4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phenyl]-vinyl}-amide
Alternate Name(s) 4-[(3',4',5'-Trihydroxy-6'-methyltetrahydropyran-2'-yl)oxy]-1-{2''-[N-(14'''-methylhexadecanoyl)amino)ethenyl]benzene Myxotyroside A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H49NO6
InChI InChI=1S/C31H49NO6/c1-4-23(2)15-13-11-9-7-5-6-8-10-12-14-16-27(33)32-22-21-25-17-19-26(20-18-25)38-31-30(36)29(35)28(34)24(3)37-31/h14,16-24,28-31,34-36H,4-13,15H2,1-3H3,(H,32,33)/b16-14-,22-21-/t23?,24-,28-,29+,30+,31-/m0/s1
InChIKey VAUHVVUBDTVYRD-LEJXBQSYSA-N
Molecular Weight 531.734 g/mol
SMILES O[C@]1([C@@](O[C@]([C@@]([C@@]1(O)[H])(O)[H])(Oc1ccc(\C=C/NC(\C=C/CCCCCCCCCCC(CC)C)=O)cc1)[H])(C)[H])[H]
SPLASH splash10-000i-0906010000-ebf6206c9c3d5bce3723
Source of Spectrum G4-72-85-1
Wiley ID 1702252