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Tridecyl 4-O-Acetyl-6-deoxy-2-O-(3,4-di-O-acetyl-6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-D-galactopyranoside
SpectraBase Compound ID 18UxOrBatAY
InChI InChI=1S/C31H54O12/c1-7-8-9-10-11-12-13-14-15-16-17-18-37-31-29(24(35)26(19(2)39-31)40-21(4)32)43-30-25(36)28(42-23(6)34)27(20(3)38-30)41-22(5)33/h19-20,24-31,35-36H,7-18H2,1-6H3/t19-,20+,24+,25-,26+,27+,28+,29-,30-,31-/m1/s1
InChIKey DQIUVZDBJDWELT-ALMFEPLMSA-N
Mol Weight 618.8 g/mol
Molecular Formula C31H54O12
Exact Mass 618.361527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVD8QOQw5oS
Name Tridecyl 4-O-Acetyl-6-deoxy-2-O-(3,4-di-O-acetyl-6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-D-galactopyranoside
Alternate Name(s) (2S,3S,4S,5R,6R)-6-(((2R,3R,4S,5R,6R)-5-acetoxy-4-hydroxy-6-methyl-2-(tridecyloxy)tetrahydro-2H-pyran-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyl diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H54O12
InChI InChI=1S/C31H54O12/c1-7-8-9-10-11-12-13-14-15-16-17-18-37-31-29(24(35)26(19(2)39-31)40-21(4)32)43-30-25(36)28(42-23(6)34)27(20(3)38-30)41-22(5)33/h19-20,24-31,35-36H,7-18H2,1-6H3/t19-,20+,24+,25-,26+,27+,28+,29-,30-,31-/m1/s1
InChIKey DQIUVZDBJDWELT-ALMFEPLMSA-N
Literature Reference DOI 10.1002/cbdv.201200366
Molecular Weight 618.761 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(OC(=O)C)[H])(OC(=O)C)[H])(C)[H])[H])[H]
SPLASH splash10-00e9-5911000000-54b0b6c5a41288f290f7
Source of Spectrum CBD-10-1106-7
Wiley ID 1771202