Chem
J-GLOBAL ID：200907046073203627   Nikkaji number：J745.298E

Bengazole A

ベンガゾールA
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H44N2O8
Molecular formula furigana： C27-H44-N2-O8
Molecular weight： 524.655
InChI： InChI=1S/C27H44N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(33)37-26(23-16-28-18-36-23)27-29-20(17-35-27)21(31)15-22(32)25(34)19(2)30/h16-19,21-22,25-26,30-32,34H,3-15H2,1-2H3/t19-,21+,22-,25+,26?/m0/s1
InChI key： XXGWNOCDEURNQA-DSVNLBSJSA-N
SMILES： CCCCCCCCCCCCCC(=O)OC(c1cnco1)c1nc(co1)[C@H](O)C[C@H](O)[C@H](O)[C@H](C)O
Systematic name  (3)：
  • (6R)-1,5-ジデオキシ-6-C-[2-[5-オキサゾリル[(1-オキソテトラデシル)オキシ]メチル]-4-オキサゾリル]-L-arabino-ヘキシトール
  • (1,3-オキサゾール-5-イル)({4-[(1R,3S,4R,5S)-1,3,4,5-テトラヒドロキシヘキシル]-1,3-オキサゾール-2-イル})メチル テトラデカノアート
  • (1,3-oxazol-5-yl)({4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl tetradecanoate
Other name (3)：
  • ベンガゾールA
  • Bengazole A
  • (6R)-1,5-Dideoxy-6-C-[2-[5-oxazolyl[(1-oxotetradecyl)oxy]methyl]-4-oxazolyl]-L-arabino-hexitol
CAS registry number： 112549-08-3
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