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Methyl (2S,3S,5R)-3-[(S)-2'-formamido-4'-methylpentanoyloxy]-2-hexyl-5-[hydroxy]hexadecanoate
SpectraBase Compound ID Hl6IlWN7knZ
InChI InChI=1S/C30H57NO6/c1-6-8-10-12-13-14-15-16-17-19-25(33)22-28(26(29(34)36-5)20-18-11-9-7-2)37-30(35)27(31-23-32)21-24(3)4/h23-28,33H,6-22H2,1-5H3,(H,31,32)/t25-,26+,27+,28+/m1/s1
InChIKey ZONDRWFGGXDPHC-UNFRKHOWSA-N
Mol Weight 527.8 g/mol
Molecular Formula C30H57NO6
Exact Mass 527.418589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hh3fGsEUace
Name Methyl (2S,3S,5R)-3-[(S)-2'-formamido-4'-methylpentanoyloxy]-2-hexyl-5-[hydroxy]hexadecanoate
Comments Less than 3 mono-isotopic peaks
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Formula C30H57NO6
InChI InChI=1S/C30H57NO6/c1-6-8-10-12-13-14-15-16-17-19-25(33)22-28(26(29(34)36-5)20-18-11-9-7-2)37-30(35)27(31-23-32)21-24(3)4/h23-28,33H,6-22H2,1-5H3,(H,31,32)/t25-,26+,27+,28+/m1/s1
InChIKey ZONDRWFGGXDPHC-UNFRKHOWSA-N
Molecular Weight 527.787 g/mol
SMILES N(C=O)[C@](C(O[C@@](C[C@](O)(CCCCCCCCCCC)[H])([C@@](C(=O)OC)(CCCCCC)[H])[H])=O)(CC(C)C)[H]
SPLASH splash10-0uk9-0009000000-aa7ffd5a69dd669c41aa
Source of Spectrum H-75-1602-10
Synonyms methyl (2S,3S,5R)-3-{[(2S)-2-(formylamino)-4-methylpentanoyl]oxy}-2-hexyl-5-hydroxyhexadecanoate
Wiley ID 1402965