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.beta.-D-Allopyranoside, methyl 4-O-(2,3,6-tri-O-benzoyl-.beta.-D-galactopyranosyl)-, 2,6-dibenzoate
SpectraBase Compound ID G7ultb1AzXk
InChI InChI=1S/C48H44O16/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/h2-26,34-41,47-50H,27-28H2,1H3
InChIKey SZWGKDQXYUOCDP-UHFFFAOYSA-N
Mol Weight 876.9 g/mol
Molecular Formula C48H44O16
Exact Mass 876.262935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hw83qd31AFZ
Name .beta.-D-Allopyranoside, methyl 4-O-(2,3,6-tri-O-benzoyl-.beta.-D-galactopyranosyl)-, 2,6-dibenzoate
Alternate Name(s) 3-(benzoyloxy)-2-{[5-(benzoyloxy)-2-[(benzoyloxy)methyl]-4-hydroxy-6-methoxyoxan-3-yl]oxy}-6-[(benzoyloxy)methyl]-5-hydroxyoxan-4-yl benzoate Methyl-2,6-di-O-benzoyl-4-O-(2,3,6-tri-O-benzoyl-.beta.-D-galactopyranosyl)-.beta.-D-glucopyranoside
CAS Registry Number 65615-77-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H44O16
InChI InChI=1S/C48H44O16/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/h2-26,34-41,47-50H,27-28H2,1H3
InChIKey SZWGKDQXYUOCDP-UHFFFAOYSA-N
Molecular Weight 876.864 g/mol
SMILES OC1C(C(C(OC2C(OC(C(C2O)OC(=O)c2ccccc2)OC)COC(=O)c2ccccc2)OC1COC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-c09908a03da357b30fa2
Source of Spectrum KC-1977-18-2004
Wiley ID 1417870