Chem
J-GLOBAL ID:200907018236136660   Nikkaji number:J1.006.831B

(3R)-3β-(2-Isopropyl-5-methylcyclohexyloxy)-7α-methoxy-3aβ,4,7,7aβ-tetrahydroisobenzofuran-1,5(3H,6H)-dione

(3R,3aR,7S,7aR)-7-メトキシ-3-{[5-メチル-2-(プロパン-2-イル)シクロヘキシル]オキシ}-オクタヒドロ-2-ベンゾフラン-1,5-ジオン
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: C19H30O5
Molecular formula furigana: C19-H30-O5
Molecular weight: 338.444
InChI: InChI=1S/C19H30O5/c1-10(2)13-6-5-11(3)7-15(13)23-19-14-8-12(20)9-16(22-4)17(14)18(21)24-19/h10-11,13-17,19H,5-9H2,1-4H3/t11?,13?,14-,15?,16+,17-,19-/m1/s1
InChI key: BCRMXRAINDQXTK-SDMMECOISA-N
SMILES: CO[C@H]1CC(=O)C[C@H]2[C@H](OC3CC(C)CCC3C(C)C)OC(=O)[C@@H]12
Systematic name  (3):
  • (3R)-3β-(2-イソプロピル-5-メチルシクロヘキシルオキシ)-7α-メトキシ-3aβ,4,7,7aβ-テトラヒドロイソベンゾフラン-1,5(3H,6H)-ジオン
  • (3R,3aR,7S,7aR)-7-メトキシ-3-{[5-メチル-2-(プロパン-2-イル)シクロヘキシル]オキシ}-オクタヒドロ-2-ベンゾフラン-1,5-ジオン
  • (3R,3aR,7S,7aR)-7-methoxy-3-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-octahydro-2-benzofuran-1,5-dione
Other name (1):
  • (3R)-3β-(2-Isopropyl-5-methylcyclohexyloxy)-7α-methoxy-3aβ,4,7,7aβ-tetrahydroisobenzofuran-1,5(3H,6H)-dione
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