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.beta.-D-Glucopyranoside, methyl 4-O-(3,6-di-O-benzoyl-.beta.-D-galactopyranosyl)-, 6-benzoate
SpectraBase Compound ID CmyZ6e0EaXT
InChI InChI=1S/C34H36O14/c1-42-33-26(37)25(36)28(23(46-33)18-44-31(40)20-13-7-3-8-14-20)48-34-27(38)29(47-32(41)21-15-9-4-10-16-21)24(35)22(45-34)17-43-30(39)19-11-5-2-6-12-19/h2-16,22-29,33-38H,17-18H2,1H3/t22-,23-,24+,25-,26-,27-,28-,29+,33-,34+/m1/s1
InChIKey VZGWWZOFGDCMIT-BJLNDTGDSA-N
Mol Weight 668.6 g/mol
Molecular Formula C34H36O14
Exact Mass 668.210506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54siHj8zY3T
Name .beta.-D-Glucopyranoside, methyl 4-O-(3,6-di-O-benzoyl-.beta.-D-galactopyranosyl)-, 6-benzoate
Alternate Name(s) Methyl 6-O-benzoyl-4-O-(3,6-di-O-benzoyl-.beta.-D-galactopyranosyl)-.beta.-D-glucopyranoside Methyl-6-O-benzyl-4-O-(3,6-di-O-benzoyl-.beta.-D-galactopyranosyl)-.beta.-D-glucopyranoside
CAS Registry Number 65615-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H36O14
InChI InChI=1S/C34H36O14/c1-42-33-26(37)25(36)28(23(46-33)18-44-31(40)20-13-7-3-8-14-20)48-34-27(38)29(47-32(41)21-15-9-4-10-16-21)24(35)22(45-34)17-43-30(39)19-11-5-2-6-12-19/h2-16,22-29,33-38H,17-18H2,1H3/t22-,23-,24+,25-,26-,27-,28-,29+,33-,34+/m1/s1
InChIKey VZGWWZOFGDCMIT-BJLNDTGDSA-N
Molecular Weight 668.648 g/mol
SMILES O[C@@]1([C@]([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@]1(OC)[H])(COC(=O)c1ccccc1)[H])[H])(O)[H])[H]
SPLASH splash10-0ab9-4960000000-e60d0246677bfae84f70
Source of Spectrum KC-1977-18-2005
Wiley ID 1413838