Chem
J-GLOBAL ID：200907042439685292   Nikkaji number：J961.814G

(1β,2S,5β)-6β-Methyl-7β-acetoxybicyclo[3.3.0]octa-3-ene-2β-carboxylic acid methyl ester

(1β,2S,5β)-6β-メチル-7β-アセトキシビシクロ[3.3.0]オクタ-3-エン-2β-カルボン酸メチル
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： C13H18O4
Molecular formula furigana： C13-H18-O4
Molecular weight： 238.283
InChI： InChI=1S/C13H18O4/c1-7-9-4-5-10(13(15)16-3)11(9)6-12(7)17-8(2)14/h4-5,7,9-12H,6H2,1-3H3/t7-,9-,10+,11+,12+/m1/s1
InChI key： ZRCKOINCPBFVDQ-KLIJAQQISA-N
SMILES： COC(=O)[C@H]1C=C[C@@H]2[C@@H](C)[C@H](C[C@H]12)OC(=O)C
Systematic name  (3)：
  • (1β,2S,5β)-6β-メチル-7β-アセトキシビシクロ[3.3.0]オクタ-3-エン-2β-カルボン酸メチル
  • メチル (1S,3aS,4R,5S,6aS)-5-(アセチルオキシ)-4-メチル-1,3a,4,5,6,6a-ヘキサヒドロペンタレン-1-カルボキシラート
  • methyl (1S,3aS,4R,5S,6aS)-5-(acetyloxy)-4-methyl-1,3a,4,5,6,6a-hexahydropentalene-1-carboxylate
Other name (1)：
  • (1β,2S,5β)-6β-Methyl-7β-acetoxybicyclo[3.3.0]octa-3-ene-2β-carboxylic acid methyl ester
Thsaurus map：
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