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Dodecyl 4-O-Acetyl-6-deoxy-2-O-(3,4-di-O-acetyl-6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-D-galactopyranoside
SpectraBase Compound ID 4N7EkwtXW6D
InChI InChI=1S/C30H52O12/c1-7-8-9-10-11-12-13-14-15-16-17-36-30-28(23(34)25(18(2)38-30)39-20(4)31)42-29-24(35)27(41-22(6)33)26(19(3)37-29)40-21(5)32/h18-19,23-30,34-35H,7-17H2,1-6H3/t18-,19+,23+,24-,25+,26+,27+,28-,29-,30-/m1/s1
InChIKey UEYGEYGDPNGZNX-XIGBJQHKSA-N
Mol Weight 604.7 g/mol
Molecular Formula C30H52O12
Exact Mass 604.345877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7k9eiLddfd
Name Dodecyl 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 C30H52O12
InChI InChI=1S/C30H52O12/c1-7-8-9-10-11-12-13-14-15-16-17-36-30-28(23(34)25(18(2)38-30)39-20(4)31)42-29-24(35)27(41-22(6)33)26(19(3)37-29)40-21(5)32/h18-19,23-30,34-35H,7-17H2,1-6H3/t18-,19+,23+,24-,25+,26+,27+,28-,29-,30-/m1/s1
InChIKey UEYGEYGDPNGZNX-XIGBJQHKSA-N
Literature Reference DOI 10.1002/cbdv.201200366
Molecular Weight 604.734 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(OC(=O)C)[H])(OC(=O)C)[H])(C)[H])[H])[H]
SPLASH splash10-00ec-5911000000-533bece45586c8b1d65d
Source of Spectrum CBD-10-1106-2
Synonyms (2S,3S,4S,5R,6R)-6-(((2R,3R,4S,5R,6R)-5-acetoxy-2-(dodecyloxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyl diacetate
Wiley ID 1771198