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Undecyl 4-O-Acetyl-6-deoxy-2-O-(3,4-di-O-acetyl-6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-D-galactopyranoside
SpectraBase Compound ID 5uRDyh1Ps0j
InChI InChI=1S/C29H50O12/c1-7-8-9-10-11-12-13-14-15-16-35-29-27(22(33)24(17(2)37-29)38-19(4)30)41-28-23(34)26(40-21(6)32)25(18(3)36-28)39-20(5)31/h17-18,22-29,33-34H,7-16H2,1-6H3/t17-,18+,22+,23-,24+,25+,26+,27-,28-,29-/m1/s1
InChIKey YIEKDISIDZGOBI-UEQPDHNHSA-N
Mol Weight 590.7 g/mol
Molecular Formula C29H50O12
Exact Mass 590.330227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXgGzp1nPLN
Name Undecyl 4-O-Acetyl-6-deoxy-2-O-(3,4-di-O-acetyl-6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-D-galactopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O12
InChI InChI=1S/C29H50O12/c1-7-8-9-10-11-12-13-14-15-16-35-29-27(22(33)24(17(2)37-29)38-19(4)30)41-28-23(34)26(40-21(6)32)25(18(3)36-28)39-20(5)31/h17-18,22-29,33-34H,7-16H2,1-6H3/t17-,18+,22+,23-,24+,25+,26+,27-,28-,29-/m1/s1
InChIKey YIEKDISIDZGOBI-UEQPDHNHSA-N
Literature Reference DOI 10.1002/cbdv.201200366
Molecular Weight 590.707 g/mol
SMILES O[C@]1([C@@](O[C@@]2([C@]([C@]([C@](O[C@]2(OCCCCCCCCCCC)[H])(C)[H])(OC(=O)C)[H])(O)[H])[H])(O[C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(C)[H])[H])[H]
SPLASH splash10-00di-7911000000-0fe63dad0ebbcc0cba33
Source of Spectrum CBD-10-1106-6
Synonyms (2S,3S,4S,5R,6R)-6-(((2R,3R,4S,5R,6R)-5-acetoxy-4-hydroxy-6-methyl-2-(undecyloxy)tetrahydro-2H-pyran-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyl diacetate
Wiley ID 1771201