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2-formylisopropyl 2-(4-chlorophenylsulfide)-3,4,6-tri-O-benzyl-b-C-glucoside
SpectraBase Compound ID GzfKymzLjtN
InChI InChI=1S/C37H39ClO5S/c1-37(2,26-39)36-35(44-31-20-18-30(38)19-21-31)34(42-24-29-16-10-5-11-17-29)33(41-23-28-14-8-4-9-15-28)32(43-36)25-40-22-27-12-6-3-7-13-27/h3-21,26,32-36H,22-25H2,1-2H3/t32-,33-,34-,35-,36-/m1/s1
InChIKey IGNURDVMOVEHRS-JZPVOVDPSA-N
Mol Weight 631.2 g/mol
Molecular Formula C37H39ClO5S
Exact Mass 630.220673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFyjtaEcymR
Name 2-formylisopropyl 2-(4-chlorophenylsulfide)-3,4,6-tri-O-benzyl-b-C-glucoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H39ClO5S
InChI InChI=1S/C37H39ClO5S/c1-37(2,26-39)36-35(44-31-20-18-30(38)19-21-31)34(42-24-29-16-10-5-11-17-29)33(41-23-28-14-8-4-9-15-28)32(43-36)25-40-22-27-12-6-3-7-13-27/h3-21,26,32-36H,22-25H2,1-2H3/t32-,33-,34-,35-,36-/m1/s1
InChIKey IGNURDVMOVEHRS-JZPVOVDPSA-N
Molecular Weight 631.227 g/mol
SMILES [C@@]1([C@@]([C@](OCc2ccccc2)([C@](O[C@]1(C(C=O)(C)C)[H])(COCc1ccccc1)[H])[H])(OCc1ccccc1)[H])(Sc1ccc(cc1)Cl)[H]
SPLASH splash10-08fu-4970000000-8a2f42d5a0bb3b832ea9
Source of Spectrum O-29-309-0
Synonyms 2-[4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-3-[(4-chlorophenyl)sulfanyl]oxan-2-yl]-2-methylpropanal
Wiley ID 1412109