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Myxotyroside B

View entire compound with spectra: 1 MS (GC)

Myxotyroside B
SpectraBase Compound ID 5rpGoxoAt7I
InChI InChI=1S/C30H47NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(32)31-22-21-24-17-19-25(20-18-24)37-30-29(35)28(34)27(33)23(2)36-30/h15-23,27-30,33-35H,3-14H2,1-2H3,(H,31,32)/b16-15-,22-21-/t23-,27-,28+,29+,30-/m0/s1
InChIKey GGZPHYAJMQANDM-JNUMMFPKSA-N
Mol Weight 517.7 g/mol
Molecular Formula C30H47NO6
Exact Mass 517.340338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AV0O4HRpKsD
Name Myxotyroside B
Alternate Name(s) (Z)-N-[(Z)-2-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]ethenyl]-2-hexadecenamide (Z)-N-[(Z)-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]ethenyl]hexadec-2-enamide (Z)-N-[(Z)-2-[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]hexadec-2-enamide
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Formula C30H47NO6
InChI InChI=1S/C30H47NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(32)31-22-21-24-17-19-25(20-18-24)37-30-29(35)28(34)27(33)23(2)36-30/h15-23,27-30,33-35H,3-14H2,1-2H3,(H,31,32)/b16-15-,22-21-/t23-,27-,28+,29+,30-/m0/s1
InChIKey GGZPHYAJMQANDM-JNUMMFPKSA-N
Molecular Weight 517.707 g/mol
SMILES O[C@]1([C@@](O[C@]([C@@]([C@@]1(O)[H])(O)[H])(Oc1ccc(\C=C/NC(\C=C/CCCCCCCCCCCCC)=O)cc1)[H])(C)[H])[H]
SPLASH splash10-0079-0906010000-7ab74eee4069dcc8e84d
Source of Spectrum G4-72-85-2
Wiley ID 1702251