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Undecyl 4-O-Acetyl-2-O-(4-O-acetyl-6-deoxy-.alpha.-l-mannopyranosyl)-6-deoxy-.beta.-D-galactopyranoside
SpectraBase Compound ID 2EgkNEUEH9Y
InChI InChI=1S/C27H48O11/c1-6-7-8-9-10-11-12-13-14-15-33-27-25(22(32)24(17(3)35-27)37-19(5)29)38-26-21(31)20(30)23(16(2)34-26)36-18(4)28/h16-17,20-27,30-32H,6-15H2,1-5H3/t16-,17+,20-,21+,22-,23-,24-,25+,26+,27+/m0/s1
InChIKey OUGBROVDXLDXGX-ICHPLSQFSA-N
Mol Weight 548.7 g/mol
Molecular Formula C27H48O11
Exact Mass 548.319662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4K0yi0jLnrt
Name Undecyl 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 C27H48O11
InChI InChI=1S/C27H48O11/c1-6-7-8-9-10-11-12-13-14-15-33-27-25(22(32)24(17(3)35-27)37-19(5)29)38-26-21(31)20(30)23(16(2)34-26)36-18(4)28/h16-17,20-27,30-32H,6-15H2,1-5H3/t16-,17+,20-,21+,22-,23-,24-,25+,26+,27+/m0/s1
InChIKey OUGBROVDXLDXGX-ICHPLSQFSA-N
Literature Reference DOI 10.1002/cbdv.201200366
Molecular Weight 548.670 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(O)[H])(OC(=O)C)[H])(C)[H])[H])[H]
SPLASH splash10-00di-9450000000-c4c633af752d6e6e7a5e
Source of Spectrum CBD-10-1106-3
Synonyms (2R,3R,4S,5R,6R)-5-(((2R,3R,4S,5R,6S)-5-acetoxy-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-2-methyl-6-(undecyloxy)tetrahydro-2H-pyran-3-yl acetate
Wiley ID 1771199