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1,2-Di-O-(6-heptenoyl)-4,5,6-tri-O-benzyl-D-glycopyranose
SpectraBase Compound ID JP5gMraQiYo
InChI InChI=1S/C41H50O8/c1-3-5-7-18-26-36(42)48-40-39(46-30-34-24-16-11-17-25-34)38(45-29-33-22-14-10-15-23-33)35(31-44-28-32-20-12-9-13-21-32)47-41(40)49-37(43)27-19-8-6-4-2/h3-4,9-17,20-25,35,38-41H,1-2,5-8,18-19,26-31H2/t35-,38-,39+,40-,41+/m1/s1
InChIKey BFNHJXAETCJSEJ-VPTYZSTFSA-N
Mol Weight 670.8 g/mol
Molecular Formula C41H50O8
Exact Mass 670.350569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JhM7J1c3Px
Name 1,2-Di-O-(6-heptenoyl)-4,5,6-tri-O-benzyl-D-glycopyranose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H50O8
InChI InChI=1S/C41H50O8/c1-3-5-7-18-26-36(42)48-40-39(46-30-34-24-16-11-17-25-34)38(45-29-33-22-14-10-15-23-33)35(31-44-28-32-20-12-9-13-21-32)47-41(40)49-37(43)27-19-8-6-4-2/h3-4,9-17,20-25,35,38-41H,1-2,5-8,18-19,26-31H2/t35-,38-,39+,40-,41+/m1/s1
InChIKey BFNHJXAETCJSEJ-VPTYZSTFSA-N
Molecular Weight 670.843 g/mol
SMILES [C@]1([C@@](O[C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H])(OC(=O)CCCCC=C)[H])(OC(=O)CCCCC=C)[H]
SPLASH splash10-0006-9100000000-8d57c208829ef2815bb7
Source of Spectrum QF-9-314-28
Wiley ID 1558174