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Dodecyl 4-O-Acetyl-2-O-(4-O-acetyl-6-deoxy-.alpha.-l-mannopyranosyl)-6-deoxy-.beta.-D-galactopyranoside
SpectraBase Compound ID K7UYczzpmqa
InChI InChI=1S/C28H50O11/c1-6-7-8-9-10-11-12-13-14-15-16-34-28-26(23(33)25(18(3)36-28)38-20(5)30)39-27-22(32)21(31)24(17(2)35-27)37-19(4)29/h17-18,21-28,31-33H,6-16H2,1-5H3/t17-,18+,21-,22+,23-,24-,25-,26+,27+,28+/m0/s1
InChIKey YNGGMGPHBOOLBS-SCLGKLCFSA-N
Mol Weight 562.7 g/mol
Molecular Formula C28H50O11
Exact Mass 562.335312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35sktYasEa
Name Dodecyl 4-O-Acetyl-2-O-(4-O-acetyl-6-deoxy-.alpha.-l-mannopyranosyl)-6-deoxy-.beta.-D-galactopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O11
InChI InChI=1S/C28H50O11/c1-6-7-8-9-10-11-12-13-14-15-16-34-28-26(23(33)25(18(3)36-28)38-20(5)30)39-27-22(32)21(31)24(17(2)35-27)37-19(4)29/h17-18,21-28,31-33H,6-16H2,1-5H3/t17-,18+,21-,22+,23-,24-,25-,26+,27+,28+/m0/s1
InChIKey YNGGMGPHBOOLBS-SCLGKLCFSA-N
Literature Reference DOI 10.1002/cbdv.201200366
Molecular Weight 562.697 g/mol
SMILES O[C@]1([C@@](O[C@@]2([C@]([C@]([C@](O[C@]2(OCCCCCCCCCCCC)[H])(C)[H])(OC(=O)C)[H])(O)[H])[H])(O[C@]([C@@]([C@]1(O)[H])(OC(=O)C)[H])(C)[H])[H])[H]
SPLASH splash10-0fk9-9580000000-877963f4b67f40357daf
Source of Spectrum CBD-10-1106-1
Synonyms (2S,3R,4S,5R,6R)-6-(((2R,3R,4S,5R,6R)-5-acetoxy-2-(dodecyloxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-3-yl)oxy)-4,5-dihydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate
Wiley ID 1771197