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(4S,6S)-4-benzyloxy-6-benzyloxymethyl-2-[(3S,4R)-4-hydroxy-3-methylhex-1-ynyl]-2-methoxytetrahydropyran
SpectraBase Compound ID C5Xlc9TEeNL
InChI InChI=1S/C28H36O5/c1-4-27(29)22(2)15-16-28(30-3)18-25(32-20-24-13-9-6-10-14-24)17-26(33-28)21-31-19-23-11-7-5-8-12-23/h5-14,22,25-27,29H,4,17-21H2,1-3H3/t22-,25-,26-,27+,28?/m0/s1
InChIKey MUOJIIIBQNHWOU-JFBSWFEJSA-N
Mol Weight 452.6 g/mol
Molecular Formula C28H36O5
Exact Mass 452.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 298qhuVNL9p
Name (4S,6S)-4-benzyloxy-6-benzyloxymethyl-2-[(3S,4R)-4-hydroxy-3-methylhex-1-ynyl]-2-methoxytetrahydropyran
CAS Registry Number 116315-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O5
InChI InChI=1S/C28H36O5/c1-4-27(29)22(2)15-16-28(30-3)18-25(32-20-24-13-9-6-10-14-24)17-26(33-28)21-31-19-23-11-7-5-8-12-23/h5-14,22,25-27,29H,4,17-21H2,1-3H3/t22-,25-,26-,27+,28?/m0/s1
InChIKey MUOJIIIBQNHWOU-JFBSWFEJSA-N
Molecular Weight 452.591 g/mol
SMILES O[C@@]([C@](C#CC1(O[C@](COCc2ccccc2)(C[C@@](C1)(OCc1ccccc1)[H])[H])OC)(C)[H])(CC)[H]
SPLASH splash10-0006-9000000000-f7e7bbb73d97e2004f5b
Source of Spectrum KC-1988-94-31
Synonyms Methyl 3,6-di-O-benzyl-2,4-dideoxy-1-C-[(3S,4R)-4-hydroxy-3-methyl-1-hexynyl]-D-threo-hexopyranoside
Wiley ID 1388358