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L-arabino-Hexitol, 1,5-dideoxy-6-C-[2-[[(13-methyl-1-oxotetradecyl)oxy]-5-oxazolylmethyl]-4-oxazolyl]-, (6R)-

View entire compound with spectra: 1 MS (GC)

L-arabino-Hexitol, 1,5-dideoxy-6-C-[2-[[(13-methyl-1-oxotetradecyl)oxy]-5-oxazolylmethyl]-4-oxazolyl]-, (6R)-
SpectraBase Compound ID I0wZDPRHevN
InChI InChI=1S/C28H46N2O8/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-25(34)38-27(24-16-29-18-37-24)28-30-21(17-36-28)22(32)15-23(33)26(35)20(3)31/h16-20,22-23,26-27,31-33,35H,4-15H2,1-3H3/t20-,22+,23-,26+,27?/m0/s1
InChIKey PMKUFDGLMYDGTM-VWDSTWNGSA-N
Mol Weight 538.7 g/mol
Molecular Formula C28H46N2O8
Exact Mass 538.325416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5vRultMczF
Name L-arabino-Hexitol, 1,5-dideoxy-6-C-[2-[[(13-methyl-1-oxotetradecyl)oxy]-5-oxazolylmethyl]-4-oxazolyl]-, (6R)-
Alternate Name(s) (6R)-1,5-dideoxy-6-C-{2-[[(13-methyltetradecanoyl)oxy](1,3-oxazol-5-yl)methyl]-1,3-oxazol-4-yl}-L-arabino-hexitol 13-Methylmyristic acid[oxazol-5-yl-[4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]oxazol-2-yl]methyl]ester 13-Methyltetradecanoic acid[5-oxazolyl-[4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]-2-oxazolyl]methyl]ester Bengazole (b) [1,3-oxazol-5-yl-[4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl]methyl]13-methyltetradecanoate [1,3-oxazol-5-yl-[4-[(1R,3S,4R,5S)-1,3,4,5-tetrakis(oxidanyl)hexyl]-1,3-oxazol-2-yl]methyl]13-methyltetradecanoate [oxazol-5-yl-[4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]oxazol-2-yl]methyl]13-methyltetradecanoate 13-Methyltetradecanoic acid [5-oxazolyl-[4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]-2-oxazolyl]methyl] ester [1,3-oxazol-5-yl-[4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl]methyl] 13-methyltetradecanoate [oxazol-5-yl-[4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]oxazol-2-yl]methyl] 13-methyltetradecanoate [1,3-oxazol-5-yl-[4-[(1R,3S,4R,5S)-1,3,4,5-tetrakis(oxidanyl)hexyl]-1,3-oxazol-2-yl]methyl] 13-methyltetradecanoate
CAS Registry Number 112549-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46N2O8
InChI InChI=1S/C28H46N2O8/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-25(34)38-27(24-16-29-18-37-24)28-30-21(17-36-28)22(32)15-23(33)26(35)20(3)31/h16-20,22-23,26-27,31-33,35H,4-15H2,1-3H3/t20-,22+,23-,26+,27?/m0/s1
InChIKey PMKUFDGLMYDGTM-VWDSTWNGSA-N
Molecular Weight 538.682 g/mol
SMILES O[C@]([C@]([C@](C[C@](c1nc(C(c2ocnc2)OC(=O)CCCCCCCCCCCC(C)C)oc1)(O)[H])(O)[H])(O)[H])(C)[H]
SPLASH splash10-002b-0092000000-b593b1e845f3ac67e602
Source of Spectrum C-110-1601-2
Wiley ID 1404315