Chem
J-GLOBAL ID：200907082285026225
Nikkaji number：J2.525.260H
4β,5α-Dimethoxycycloheptane-1,1-dicarboxylic acid dimethyl ester
4β,5α-ジメトキシシクロヘプタン-1,1-ジカルボン酸ジメチル
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
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
Molecular formula： C13H22O6
Molecular formula furigana： C13-H22-O6
Molecular weight： 274.313
InChI：
InChI=1S/C13H22O6/c1-16-9-5-7-13(11(14)18-3,12(15)19-4)8-6-10(9)17-2/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChI key：
VGJVEBLBNVLVTF-NXEZZACHSA-N
SMILES：
CO[C@@H]1CCC(CC[C@H]1OC)(C(=O)OC)C(=O)OC
Systematic name (3)：
- 4β,5α-ジメトキシシクロヘプタン-1,1-ジカルボン酸ジメチル
- 1,1-ジメチル (4R,5R)-4,5-ジメトキシシクロヘプタン-1,1-ジカルボキシラート
- 1,1-dimethyl (4R,5R)-4,5-dimethoxycycloheptane-1,1-dicarboxylate
- 4β,5α-Dimethoxycycloheptane-1,1-dicarboxylic acid dimethyl ester
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