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.beta.-D-Allopyranoside, methyl 3-chloro-3-deoxy-4-O-(2,3,6-tri-O-benzoyl-4-chloro-4-deoxy-.beta.-D-g lucopyranosyl)-, dibenzoate
SpectraBase Compound ID CTN2S0NS16s
InChI InChI=1S/C48H42Cl2O14/c1-56-47-40(62-45(54)32-23-13-5-14-24-32)37(50)38(35(60-47)28-58-43(52)30-19-9-3-10-20-30)64-48-41(63-46(55)33-25-15-6-16-26-33)39(61-44(53)31-21-11-4-12-22-31)36(49)34(59-48)27-57-42(51)29-17-7-2-8-18-29/h2-26,34-41,47-48H,27-28H2,1H3
InChIKey XNYFXYRPPHWMRP-UHFFFAOYSA-N
Mol Weight 913.8 g/mol
Molecular Formula C48H42Cl2O14
Exact Mass 912.195161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Di6wPLOY3yz
Name .beta.-D-Allopyranoside, methyl 3-chloro-3-deoxy-4-O-(2,3,6-tri-O-benzoyl-4-chloro-4-deoxy-.beta.-D-g lucopyranosyl)-, dibenzoate
CAS Registry Number 65615-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H42Cl2O14
InChI InChI=1S/C48H42Cl2O14/c1-56-47-40(62-45(54)32-23-13-5-14-24-32)37(50)38(35(60-47)28-58-43(52)30-19-9-3-10-20-30)64-48-41(63-46(55)33-25-15-6-16-26-33)39(61-44(53)31-21-11-4-12-22-31)36(49)34(59-48)27-57-42(51)29-17-7-2-8-18-29/h2-26,34-41,47-48H,27-28H2,1H3
InChIKey XNYFXYRPPHWMRP-UHFFFAOYSA-N
Molecular Weight 913.756 g/mol
SMILES C1(C(C(Cl)C(OC1OC1C(C(OC(=O)c2ccccc2)C(OC1COC(=O)c1ccccc1)OC)Cl)COC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
SPLASH splash10-0a4i-1900000000-59e92fa2967c78002189
Source of Spectrum KC-1977-18-2005
Synonyms 4-(benzoyloxy)-2-{[5-(benzoyloxy)-2-[(benzoyloxy)methyl]-4-chloro-6-methoxyoxan-3-yl]oxy}-6-[(benzoyloxy)methyl]-5-chlorooxan-3-yl benzoate Methyl-2,6-di-O-benzoyl-3-chloro-3-deoxy-4-O-(2,3,6-tri-O-benzoyl-4-chloro-4-deoxy-.beta.-D-glucopyranosyl)-.beta.-D-allopyranoside
Wiley ID 1418087