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Tetradecyl 4-O-Acetyl-6-deoxy-2-O-(3,4-di-O-acetyl-6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-D-galactopyranoside
SpectraBase Compound ID CmyKebPWihj
InChI InChI=1S/C32H56O12/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-38-32-30(25(36)27(20(2)40-32)41-22(4)33)44-31-26(37)29(43-24(6)35)28(21(3)39-31)42-23(5)34/h20-21,25-32,36-37H,7-19H2,1-6H3/t20-,21+,25+,26-,27+,28+,29+,30-,31-,32-/m1/s1
InChIKey ZWNUUXTVNSWVNB-FXSKFNTCSA-N
Mol Weight 632.8 g/mol
Molecular Formula C32H56O12
Exact Mass 632.377177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OwzUMYNXvu
Name Tetradecyl 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 C32H56O12
InChI InChI=1S/C32H56O12/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-38-32-30(25(36)27(20(2)40-32)41-22(4)33)44-31-26(37)29(43-24(6)35)28(21(3)39-31)42-23(5)34/h20-21,25-32,36-37H,7-19H2,1-6H3/t20-,21+,25+,26-,27+,28+,29+,30-,31-,32-/m1/s1
InChIKey ZWNUUXTVNSWVNB-FXSKFNTCSA-N
Literature Reference DOI 10.1002/cbdv.201200366
Molecular Weight 632.788 g/mol
SMILES O[C@]1([C@@](O[C@@]2([C@]([C@]([C@](O[C@]2(OCCCCCCCCCCCCCC)[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 splash10-00e9-9801000000-2c857a7c4e8d89c40617
Source of Spectrum CBD-10-1106-8
Synonyms (2S,3S,4S,5R,6R)-6-(((2R,3R,4S,5R,6R)-5-acetoxy-4-hydroxy-6-methyl-2-(tetradecyloxy)tetrahydro-2H-pyran-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyl diacetate
Wiley ID 1771203