Chem
J-GLOBAL ID:200907076640207082   Nikkaji number:J126.076F

1,2,3,4,5,6-Hexanehexol 1,3,4,6-tetraacetate 2,5-dibenzoate

1,2,3,4,5,6-ヘキサンヘキサオール1,3,4,6-テトラアセタート2,5-ジベンゾアート
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: C28H30O12
Molecular formula furigana: C28-H30-O12
Molecular weight: 558.536
InChI: InChI=1S/C28H30O12/c1-17(29)35-15-23(39-27(33)21-11-7-5-8-12-21)25(37-19(3)31)26(38-20(4)32)24(16-36-18(2)30)40-28(34)22-13-9-6-10-14-22/h5-14,23-26H,15-16H2,1-4H3
InChI key: AJAKPXSQOSJCFG-UHFFFAOYSA-N
SMILES: CC(=O)OCC(OC(=O)c1ccccc1)C(OC(=O)C)C(OC(=O)C)C(COC(=O)C)OC(=O)c1ccccc1
Systematic name  (3):
  • 1,2,3,4,5,6-ヘキサンヘキサオール1,3,4,6-テトラアセタート2,5-ジベンゾアート
  • 1,4,6-トリス(アセチルオキシ)-2,5-ビス(ベンゾイルオキシ)ヘキサン-3-イル アセタート
  • 1,4,6-tris(acetyloxy)-2,5-bis(benzoyloxy)hexan-3-yl acetate
Other name (1):
  • 1,2,3,4,5,6-Hexanehexol 1,3,4,6-tetraacetate 2,5-dibenzoate
CAS registry number: 74741-51-8
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