Chem
J-GLOBAL ID:200907048947291729   Nikkaji number:J1.152.032D

3-O,6-O-Diisopropyl-4-O,5-O-dibenzoyl-D-neo-inositol

3-O,6-O-ジイソプロピル-4-O,5-O-ジベンゾイル-D-neo-イノシトール
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: C26H32O8
Molecular formula furigana: C26-H32-O8
Molecular weight: 472.534
InChI: InChI=1S/C26H32O8/c1-15(2)31-21-19(27)20(28)22(32-16(3)4)24(34-26(30)18-13-9-6-10-14-18)23(21)33-25(29)17-11-7-5-8-12-17/h5-16,19-24,27-28H,1-4H3/t19-,20+,21-,22-,23+,24-/m0/s1
InChI key: VDQWNBSKSNIIAV-MWIVGIEESA-N
SMILES: CC(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](OC(C)C)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
Systematic name  (3):
  • 3-O,6-O-ジイソプロピル-4-O,5-O-ジベンゾイル-D-neo-イノシトール
  • (1S,2R,3S,4S,5R,6S)-2-(ベンゾイルオキシ)-4,5-ジヒドロキシ-3,6-ビス(プロパン-2-イルオキシ)シクロヘキシル ベンゾアート
  • (1S,2R,3S,4S,5R,6S)-2-(benzoyloxy)-4,5-dihydroxy-3,6-bis(propan-2-yloxy)cyclohexyl benzoate
Other name (1):
  • 3-O,6-O-Diisopropyl-4-O,5-O-dibenzoyl-D-neo-inositol
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