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Tridecyl 4-O-Acetyl-2-O-(4-O-acetyl-6-deoxy-.alpha.-l-mannopyranosyl)-6-deoxy-.beta.-D-galactopyranoside
SpectraBase Compound ID K0yCK07TFaE
InChI InChI=1S/C29H52O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-35-29-27(24(34)26(19(3)37-29)39-21(5)31)40-28-23(33)22(32)25(18(2)36-28)38-20(4)30/h18-19,22-29,32-34H,6-17H2,1-5H3/t18-,19+,22-,23+,24-,25-,26-,27+,28-,29+/m0/s1
InChIKey JKHVHANJZMSINB-QSTROWSQSA-N
Mol Weight 576.7 g/mol
Molecular Formula C29H52O11
Exact Mass 576.350962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HStXEZdFUW
Name Tridecyl 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 C29H52O11
InChI InChI=1S/C29H52O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-35-29-27(24(34)26(19(3)37-29)39-21(5)31)40-28-23(33)22(32)25(18(2)36-28)38-20(4)30/h18-19,22-29,32-34H,6-17H2,1-5H3/t18-,19+,22-,23+,24-,25-,26-,27+,28-,29+/m0/s1
InChIKey JKHVHANJZMSINB-QSTROWSQSA-N
Literature Reference DOI 10.1002/cbdv.201200366
Molecular Weight 576.724 g/mol
SMILES O[C@]1([C@](O[C@@]2([C@]([C@]([C@](O[C@]2(OCCCCCCCCCCCCC)[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 splash10-0fk9-9570000000-9de49b6e4d4ea27244d4
Source of Spectrum CBD-10-1106-4
Synonyms (2R,3R,4S,5R,6R)-5-(((2S,3R,4S,5R,6S)-5-acetoxy-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-2-methyl-6-(tridecyloxy)tetrahydro-2H-pyran-3-yl acetate
Wiley ID 1771200