Chem
J-GLOBAL ID：200907036040943816   Nikkaji number：J1.730.830K

(1β,5β)-4α-(Iodomethyl)bicyclo[3.3.0]octane-2,2-dicarboxylic acid dimethyl ester

(1β,5β)-4α-(ヨードメチル)ビシクロ[3.3.0]オクタン-2,2-ジカルボン酸ジメチル
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： C13H19IO4
Molecular formula furigana： C13-H19-I-O4
Molecular weight： 366.195
InChI： InChI=1S/C13H19IO4/c1-17-11(15)13(12(16)18-2)6-8(7-14)9-4-3-5-10(9)13/h8-10H,3-7H2,1-2H3/t8-,9+,10+/m1/s1
InChI key： AEFKUJXFZQFWDD-UTLUCORTSA-N
SMILES： COC(=O)C1(C[C@H](CI)[C@@H]2CCC[C@H]12)C(=O)OC
Systematic name  (3)：
  • (1β,5β)-4α-(ヨードメチル)ビシクロ[3.3.0]オクタン-2,2-ジカルボン酸ジメチル
  • 1,1-ジメチル (3S,3aR,6aS)-3-(ヨードメチル)-オクタヒドロペンタレン-1,1-ジカルボキシラート
  • 1,1-dimethyl (3S,3aR,6aS)-3-(iodomethyl)-octahydropentalene-1,1-dicarboxylate
Other name (1)：
  • (1β,5β)-4α-(Iodomethyl)bicyclo[3.3.0]octane-2,2-dicarboxylic acid dimethyl ester
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