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2-O-(6-Heptenoyl)-3,5,6-tri-O-benzyl-D-glucopyranose
SpectraBase Compound ID 2G5yQkHCKZj
InChI InChI=1S/C34H40O7/c1-2-3-4-14-21-30(35)41-33-32(39-24-28-19-12-7-13-20-28)31(38-23-27-17-10-6-11-18-27)29(40-34(33)36)25-37-22-26-15-8-5-9-16-26/h2,5-13,15-20,29,31-34,36H,1,3-4,14,21-25H2/t29-,31-,32?,33-,34-/m1/s1
InChIKey OKCDSQCYLWNNAO-GAUSQWEVSA-N
Mol Weight 560.7 g/mol
Molecular Formula C34H40O7
Exact Mass 560.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLlmH4aIEdl
Name 2-O-(6-Heptenoyl)-3,5,6-tri-O-benzyl-D-glucopyranose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H40O7
InChI InChI=1S/C34H40O7/c1-2-3-4-14-21-30(35)41-33-32(39-24-28-19-12-7-13-20-28)31(38-23-27-17-10-6-11-18-27)29(40-34(33)36)25-37-22-26-15-8-5-9-16-26/h2,5-13,15-20,29,31-34,36H,1,3-4,14,21-25H2/t29-,31-,32?,33-,34-/m1/s1
InChIKey OKCDSQCYLWNNAO-GAUSQWEVSA-N
Molecular Weight 560.687 g/mol
SMILES O[C@]1([C@@](C([C@](OCc2ccccc2)([C@](O1)(COCc1ccccc1)[H])[H])OCc1ccccc1)(OC(=O)CCCCC=C)[H])[H]
SPLASH splash10-0006-9000000000-72425f66f8549b803c16
Source of Spectrum QF-9-314-29
Synonyms 2-O-(6-Heptenoyl)-4,5,6-tri-O-benzyl-D-glucopyranose 3,4,6-tri-O-benzyl-2-O-(6-heptenoyl)hexopyranose
Wiley ID 1558173