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.beta.-D-Glucopyranoside, methyl 4-O-(3,6-di-O-benzoyl-.beta.-D-galactopyranosyl)-, 2,6-dibenzoate
SpectraBase Compound ID DiLSQmS4Kmr
InChI InChI=1S/C41H40O15/c1-49-41-35(55-39(48)27-20-12-5-13-21-27)31(43)33(29(53-41)23-51-37(46)25-16-8-3-9-17-25)56-40-32(44)34(54-38(47)26-18-10-4-11-19-26)30(42)28(52-40)22-50-36(45)24-14-6-2-7-15-24/h2-21,28-35,40-44H,22-23H2,1H3/t28-,29-,30+,31+,32-,33-,34+,35-,40+,41-/m1/s1
InChIKey KRCJCOBDSZTOFN-VBPLRFQASA-N
Mol Weight 772.8 g/mol
Molecular Formula C41H40O15
Exact Mass 772.236721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8FdSiBkGYk
Name .beta.-D-Glucopyranoside, methyl 4-O-(3,6-di-O-benzoyl-.beta.-D-galactopyranosyl)-, 2,6-dibenzoate
Alternate Name(s) Methyl 2,6-di-O-benzoyl-4-O-(3,6-di-O-benzoyl-.beta.-D-galactopyranosyl)-.beta.-D-glucopyranoside Methyl-2.6-di-O-benzoyl-4-O-(3,6-di-O-benzoyl-.beta.-D-galactopyranosyl)-.beta.-D-glucopyranoside
CAS Registry Number 65615-78-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H40O15
InChI InChI=1S/C41H40O15/c1-49-41-35(55-39(48)27-20-12-5-13-21-27)31(43)33(29(53-41)23-51-37(46)25-16-8-3-9-17-25)56-40-32(44)34(54-38(47)26-18-10-4-11-19-26)30(42)28(52-40)22-50-36(45)24-14-6-2-7-15-24/h2-21,28-35,40-44H,22-23H2,1H3/t28-,29-,30+,31+,32-,33-,34+,35-,40+,41-/m1/s1
InChIKey KRCJCOBDSZTOFN-VBPLRFQASA-N
Molecular Weight 772.756 g/mol
SMILES O[C@]1([C@](O[C@]2([C@@]([C@]([C@]([C@](O2)(COC(=O)c2ccccc2)[H])(O)[H])(OC(=O)c2ccccc2)[H])(O)[H])[H])([C@](O[C@]([C@@]1(OC(=O)c1ccccc1)[H])(OC)[H])(COC(=O)c1ccccc1)[H])[H])[H]
SPLASH splash10-0a4i-0900000000-b11965a5013e0a11551f
Source of Spectrum KC-1977-18-2004
Wiley ID 1416744