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(2S,3R)-1-(2,3,4,6-Tetra-O-acetyl-.beta.,D-galactopyranosyl)-2-(stearuylamino)-1,3-hexadecanediol
SpectraBase Compound ID LmpxlrE7Gmg
InChI InChI=1S/C50H89NO13/c1-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-46(57)51-43(44(60-39(4)53)34-32-30-28-26-24-19-17-15-13-11-9-2)36-59-50-49(63-42(7)56)48(62-41(6)55)47(61-40(5)54)45(64-50)37-58-38(3)52/h43-45,47-50H,8-37H2,1-7H3,(H,51,57)/t43-,44+,45+,47-,48-,49+,50+/m0/s1
InChIKey JKUMNQQZLNBIRE-JMPGNXEHSA-N
Mol Weight 912.3 g/mol
Molecular Formula C50H89NO13
Exact Mass 911.633392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yIlOPapAIU
Name (2S,3R)-1-(2,3,4,6-Tetra-O-acetyl-.beta.,D-galactopyranosyl)-2-(stearuylamino)-1,3-hexadecanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H89NO13
InChI InChI=1S/C50H89NO13/c1-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-46(57)51-43(44(60-39(4)53)34-32-30-28-26-24-19-17-15-13-11-9-2)36-59-50-49(63-42(7)56)48(62-41(6)55)47(61-40(5)54)45(64-50)37-58-38(3)52/h43-45,47-50H,8-37H2,1-7H3,(H,51,57)/t43-,44+,45+,47-,48-,49+,50+/m0/s1
InChIKey JKUMNQQZLNBIRE-JMPGNXEHSA-N
Molecular Weight 912.256 g/mol
SMILES N([C@@](CO[C@]1([C@@]([C@]([C@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])([C@](OC(=O)C)(CCCCCCCCCCCCC)[H])[H])C(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-01q9-3309231021-5a8622d2613cc3d9c217
Source of Spectrum J-63-6937-10
Synonyms Acetic acid [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3R)-3-acetyloxy-2-(1-oxooctadecylamino)hexadecoxy]-2-oxanyl]methyl ester [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3R)-3-acetyloxy-2-(octadecanoylamino)hexadecoxy]oxan-2-yl]methyl acetate [(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[(2S,3R)-3-acetoxy-2-(octadecanoylamino)hexadecoxy]tetrahydropyran-2-yl]methyl acetate [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3R)-3-acetyloxy-2-(octadecanoylamino)hexadecoxy]oxan-2-yl]methyl ethanoate
Wiley ID 1418076