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arabino-Hexitol, 1,5-dideoxy-6-C-[2-[5-oxazolyl[(1-oxotetradecyl)oxy]methyl]-4-oxazolyl]-, 2,3,4,6-tetraacetate, (6S*)-
SpectraBase Compound ID DEsMvaQA78o
InChI InChI=1S/C35H52N2O12/c1-7-8-9-10-11-12-13-14-15-16-17-18-32(42)49-34(31-20-36-22-44-31)35-37-28(21-43-35)29(46-25(4)39)19-30(47-26(5)40)33(48-27(6)41)23(2)45-24(3)38/h20-23,29-30,33-34H,7-19H2,1-6H3/t23-,29+,30-,33+,34+/m1/s1
InChIKey QKDOYGSOKPFMAQ-DDORSFBGSA-N
Mol Weight 692.8 g/mol
Molecular Formula C35H52N2O12
Exact Mass 692.352025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ONdLKsgwHl
Name arabino-Hexitol, 1,5-dideoxy-6-C-[2-[5-oxazolyl[(1-oxotetradecyl)oxy]methyl]-4-oxazolyl]-, 2,3,4,6-tetraacetate, (6S*)-
CAS Registry Number 112549-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H52N2O12
InChI InChI=1S/C35H52N2O12/c1-7-8-9-10-11-12-13-14-15-16-17-18-32(42)49-34(31-20-36-22-44-31)35-37-28(21-43-35)29(46-25(4)39)19-30(47-26(5)40)33(48-27(6)41)23(2)45-24(3)38/h20-23,29-30,33-34H,7-19H2,1-6H3/t23-,29+,30-,33+,34+/m1/s1
InChIKey QKDOYGSOKPFMAQ-DDORSFBGSA-N
Molecular Weight 692.803 g/mol
SMILES c1(nc(co1)[C@](C[C@]([C@]([C@](OC(=O)C)(C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[C@](c1ocnc1)(OC(=O)CCCCCCCCCCCCC)[H]
SPLASH splash10-0h2f-0089800000-1857a218b22017e98763
Source of Spectrum C-110-1601-0
Synonyms (6S)-2,3,4,6-tetra-O-acetyl-1,5-dideoxy-6-C-{2-[(S)-1,3-oxazol-5-yl(tetradecanoyloxy)methyl]-1,3-oxazol-4-yl}-D-arabino-hexitol Bengazole A tetracetyl
Wiley ID 1414782