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Penta-O-benzoyl-6-deoxy-L-mannitol
SpectraBase Compound ID KBFMyoI4ZUW
InChI InChI=1S/C41H34O10/c1-28(48-38(43)30-19-9-3-10-20-30)35(50-40(45)32-23-13-5-14-24-32)36(51-41(46)33-25-15-6-16-26-33)34(49-39(44)31-21-11-4-12-22-31)27-47-37(42)29-17-7-2-8-18-29/h2-26,28,34-36H,27H2,1H3/t28-,34-,35-,36-/m0/s1
InChIKey YDFLHMFXXIJCQT-KNNPLYPDSA-N
Mol Weight 686.7 g/mol
Molecular Formula C41H34O10
Exact Mass 686.215197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77IuMBo7osV
Name Penta-O-benzoyl-6-deoxy-L-mannitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H34O10
InChI InChI=1S/C41H34O10/c1-28(48-38(43)30-19-9-3-10-20-30)35(50-40(45)32-23-13-5-14-24-32)36(51-41(46)33-25-15-6-16-26-33)34(49-39(44)31-21-11-4-12-22-31)27-47-37(42)29-17-7-2-8-18-29/h2-26,28,34-36H,27H2,1H3/t28-,34-,35-,36-/m0/s1
InChIKey YDFLHMFXXIJCQT-KNNPLYPDSA-N
Molecular Weight 686.713 g/mol
SMILES [C@@]([C@@](OC(=O)c1ccccc1)([C@@](OC(=O)c1ccccc1)(C)[H])[H])(OC(=O)c1ccccc1)([C@@](OC(=O)c1ccccc1)(COC(=O)c1ccccc1)[H])[H]
SPLASH splash10-0a6r-9700000000-8859b540c78219753b5f
Source of Spectrum O-26-800-10
Synonyms 1,2,3,4,5-penta-O-benzoyl-6-deoxy-L-mannitol
Wiley ID 1414554