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.beta.-D-Allopyranoside, methyl 3-chloro-3-deoxy-4-O-(2,3,4,6-tetra-O-benzoyl-.beta.-D-galactopyranosyl)-, dibenzoate
SpectraBase Compound ID F4lasYXzmJb
InChI InChI=1S/C55H47ClO16/c1-63-54-45(69-51(60)37-26-14-5-15-27-37)42(56)43(40(66-54)32-64-48(57)34-20-8-2-9-21-34)72-55-47(71-53(62)39-30-18-7-19-31-39)46(70-52(61)38-28-16-6-17-29-38)44(68-50(59)36-24-12-4-13-25-36)41(67-55)33-65-49(58)35-22-10-3-11-23-35/h2-31,40-47,54-55H,32-33H2,1H3
InChIKey HFNLQWRVVIELLG-UHFFFAOYSA-N
Mol Weight 999.4 g/mol
Molecular Formula C55H47ClO16
Exact Mass 998.255263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64j24b1MJGT
Name .beta.-D-Allopyranoside, methyl 3-chloro-3-deoxy-4-O-(2,3,4,6-tetra-O-benzoyl-.beta.-D-galactopyranosyl)-, dibenzoate
CAS Registry Number 65615-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C55H47ClO16
InChI InChI=1S/C55H47ClO16/c1-63-54-45(69-51(60)37-26-14-5-15-27-37)42(56)43(40(66-54)32-64-48(57)34-20-8-2-9-21-34)72-55-47(71-53(62)39-30-18-7-19-31-39)46(70-52(61)38-28-16-6-17-29-38)44(68-50(59)36-24-12-4-13-25-36)41(67-55)33-65-49(58)35-22-10-3-11-23-35/h2-31,40-47,54-55H,32-33H2,1H3
InChIKey HFNLQWRVVIELLG-UHFFFAOYSA-N
Molecular Weight 999.418 g/mol
SMILES C1(C(C(OC(=O)c2ccccc2)C(OC1OC1C(C(OC(=O)c2ccccc2)C(OC1COC(=O)c1ccccc1)OC)Cl)COC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-1ac73dc9fb75c41e9cc1
Source of Spectrum KC-1977-18-2005
Synonyms 3,5-bis(benzoyloxy)-2-{[5-(benzoyloxy)-2-[(benzoyloxy)methyl]-4-chloro-6-methoxyoxan-3-yl]oxy}-6-[(benzoyloxy)methyl]oxan-4-yl benzoate Methyl-2,6-di-O-benzoyl-3-chloro-deoxy-4-O-(2,3,4,6-tetra-O-benzoyl-.beta.-D-galactopyranosyl-.beta.-D-allopyranoside
Wiley ID 1418386