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.beta.-D-Allopyranoside, methyl 3-chloro-3-deoxy-4-O-(3,4,6-tri-O-benzoyl-.beta.-D-galactopyranosyl)- , 2,6-dibenzoate
SpectraBase Compound ID Ba5IV5d6w1g
InChI InChI=1S/C48H43ClO15/c1-56-48-40(62-45(54)32-23-13-5-14-24-32)36(49)38(34(60-48)27-57-42(51)29-17-7-2-8-18-29)64-47-37(50)41(63-46(55)33-25-15-6-16-26-33)39(61-44(53)31-21-11-4-12-22-31)35(59-47)28-58-43(52)30-19-9-3-10-20-30/h2-26,34-41,47-48,50H,27-28H2,1H3
InChIKey HZLZERAWTOHELC-UHFFFAOYSA-N
Mol Weight 895.3 g/mol
Molecular Formula C48H43ClO15
Exact Mass 894.229048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gq2cIiwrWLI
Name .beta.-D-Allopyranoside, methyl 3-chloro-3-deoxy-4-O-(3,4,6-tri-O-benzoyl-.beta.-D-galactopyranosyl)- , 2,6-dibenzoate
Alternate Name(s) 3-(benzoyloxy)-6-{[5-(benzoyloxy)-2-[(benzoyloxy)methyl]-4-chloro-6-methoxyoxan-3-yl]oxy}-2-[(benzoyloxy)methyl]-5-hydroxyoxan-4-yl benzoate Methyl-2,6-di-O-benzoyl-3-chloro-3-deoxy-4-O-(3,4,6-tri-O-benzoyl-.beta.-D-galactopyranosyl)-.beta.-D-allopyranoside
CAS Registry Number 65615-74-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H43ClO15
InChI InChI=1S/C48H43ClO15/c1-56-48-40(62-45(54)32-23-13-5-14-24-32)36(49)38(34(60-48)27-57-42(51)29-17-7-2-8-18-29)64-47-37(50)41(63-46(55)33-25-15-6-16-26-33)39(61-44(53)31-21-11-4-12-22-31)35(59-47)28-58-43(52)30-19-9-3-10-20-30/h2-26,34-41,47-48,50H,27-28H2,1H3
InChIKey HZLZERAWTOHELC-UHFFFAOYSA-N
Molecular Weight 895.310 g/mol
SMILES OC1C(OC(C(C1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1)OC1C(C(OC(=O)c2ccccc2)C(OC1COC(=O)c1ccccc1)OC)Cl
SPLASH splash10-0a4i-0900000000-53f8b623d918f1221f8a
Source of Spectrum KC-1977-18-2005
Wiley ID 1418005