Chem
J-GLOBAL ID：201607000314530280   Nikkaji number：J3.481.433C

(1S,2R)-1α,4β-Dichloro-1,3,4,4′,4aβ,5,5′,6,7,8,9,9aβ-dodecahydrospiro[2H-benzocycloheptene-2,2′(3′H)-furan]-1-carboxylic acid methyl ester

メチル (1S,2R,4R,4aR,9aS)-1,4-ジクロロ-デカヒドロスピロ[ベンゾ[7]アンヌレン-2,2'-オキソラン]-1-カルボキシラート
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： C16H24Cl2O3
Molecular formula furigana： C16-H24-CL2-O3
Molecular weight： 335.270
InChI： InChI=1S/C16H24Cl2O3/c1-20-14(19)16(18)12-7-4-2-3-6-11(12)13(17)10-15(16)8-5-9-21-15/h11-13H,2-10H2,1H3/t11-,12+,13-,15-,16-/m1/s1
InChI key： WBBSZKNEKAUCCA-STGWMILLSA-N
SMILES： COC(=O)[C@]1(Cl)[C@H]2CCCCC[C@H]2[C@H](Cl)C[C@@]21CCCO2
Systematic name  (3)：
  • (1S,2R)-1α,4β-ジクロロ-1,3,4,4′,4aβ,5,5′,6,7,8,9,9aβ-ドデカヒドロスピロ[2H-ベンゾシクロヘプテン-2,2′(3′H)-フラン]-1-カルボン酸メチル
  • メチル (1S,2R,4R,4aR,9aS)-1,4-ジクロロ-デカヒドロスピロ[ベンゾ[7]アンヌレン-2,2'-オキソラン]-1-カルボキシラート
  • methyl (1S,2R,4R,4aR,9aS)-1,4-dichloro-decahydrospiro[benzo[7]annulene-2,2'-oxolane]-1-carboxylate
Other name (1)：
  • (1S,2R)-1α,4β-Dichloro-1,3,4,4′,4aβ,5,5′,6,7,8,9,9aβ-dodecahydrospiro[2H-benzocycloheptene-2,2′(3′H)-furan]-1-carboxylic acid methyl ester
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