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3,4,6-TRI-O-BENZYL-1,2-DI-O-CHLOROACETYL-ALPHA-D-GLUCOPYRANOSE
SpectraBase Compound ID KaU1l1k2Hcf
InChI InChI=1S/C31H32Cl2O8/c32-16-26(34)40-30-29(38-20-24-14-8-3-9-15-24)28(37-19-23-12-6-2-7-13-23)25(39-31(30)41-27(35)17-33)21-36-18-22-10-4-1-5-11-22/h1-15,25,28-31H,16-21H2/t25-,28-,29+,30-,31-/m1/s1
InChIKey QYLUZPYFMDQGSG-KLBVUYHRSA-N
Mol Weight 603.5 g/mol
Molecular Formula C31H32Cl2O8
Exact Mass 602.147423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AQG7gXhI9y
Name 3,4,6-Tri-O-benzyl-1,2-di-O-chloroacetyl-.alpha.,.beta.-D-glucopyranose
Alternate Name(s) 3,4,6-tri-O-benzyl-1,2-bis-O-(chloroacetyl)hexopyranose Chloro-acetic acid (2R,3R,4S)-4,5-bis-benzyloxy-6-benzyloxymethyl-3-(2-chloro-acetoxy)-tetrahydro-pyran-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32Cl2O8
InChI InChI=1S/C31H32Cl2O8/c32-16-26(34)40-30-29(38-20-24-14-8-3-9-15-24)28(37-19-23-12-6-2-7-13-23)25(39-31(30)41-27(35)17-33)21-36-18-22-10-4-1-5-11-22/h1-15,25,28-31H,16-21H2/t25-,28-,29+,30-,31-/m1/s1
InChIKey QYLUZPYFMDQGSG-KLBVUYHRSA-N
Molecular Weight 603.495 g/mol
SMILES [C@]1([C@](O[C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H])(OC(=O)CCl)[H])(OC(=O)CCl)[H]
SPLASH splash10-0006-9000000000-333c03a0b3081777586d
Source of Spectrum J-63-3077-15
Wiley ID 1410284