Chem
J-GLOBAL ID:200907002248464294
Nikkaji number:J2.166.037J
1-O,2-O:5-O,6-O-Diisopropylidene-α-D-glucofuranose 3-(2,2-dimethyl-4-acetoxybutyrate)
1-O,2-O:5-O,6-O-ジイソプロピリデン-α-D-グルコフラノース3-(2,2-ジメチル-4-アセトキシブチラート)
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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:
C20 H32 O9
Molecular formula furigana:
C20-H32-O9
Molecular weight:
416.467
InChI:
InChI=1S/C20H32O9/c1-11(21)23-9-8-18(2,3)17(22)26-14-13(12-10-24-19(4,5)27-12)25-16-15(14)28-20(6,7)29-16/h12-16H,8-10H2,1-7H3/t12-,13-,14+,15-,16-/m1/s1
InChI key:
KPVGGBHEGSKWCF-IBEHDNSVSA-N
SMILES:
CC(=O)OCCC(C)(C)C(=O)O[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H]1COC(C)(C)O1
Systematic name (3):
1-O,2-O:5-O,6-O-ジイソプロピリデン-α-D-グルコフラノース3-(2,2-ジメチル-4-アセトキシブチラート)
(3aR,5R,6S,6aR)-5-[(4R)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-2,2-ジメチル-テトラヒドロ-2H-フロ[2,3-d][1,3]ジオキソール-6-イル 4-(アセチルオキシ)-2,2-ジメチルブタノアート
(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl 4-(acetyloxy)-2,2-dimethylbutanoate
Other name (1):
1-O,2-O:5-O,6-O-Diisopropylidene-α-D-glucofuranose 3-(2,2-dimethyl-4-acetoxybutyrate)
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