Chem
J-GLOBAL ID:200907078270974243   Nikkaji number:J1.650.761J

(αS,3aR)-α-Methyl-1,3-dioxo-1,3,3aα,4,5,6,7,7aα-octahydro-4β,7β-epoxyisobenzofuran-4-methanol benzoate

(1S)-1-[(1S,2R,6S,7R)-3,5-ジオキソ-4,10-ジオキサトリシクロ[5.2.1.02,6]デカン-1-イル]エチル ベンゾアート
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: C17H16O6
Molecular formula furigana: C17-H16-O6
Molecular weight: 316.309
InChI: InChI=1S/C17H16O6/c1-9(21-14(18)10-5-3-2-4-6-10)17-8-7-11(23-17)12-13(17)16(20)22-15(12)19/h2-6,9,11-13H,7-8H2,1H3/t9-,11+,12+,13-,17+/m0/s1
InChI key: IQVXKNJQBUGOEP-CPCNZPCVSA-N
SMILES: C[C@H](OC(=O)c1ccccc1)[C@@]12CC[C@@H](O1)[C@@H]1[C@H]2C(=O)OC1=O
Systematic name  (3):
  • (αS,3aR)-α-メチル-1,3-ジオキソ-1,3,3aα,4,5,6,7,7aα-オクタヒドロ-4β,7β-エポキシイソベンゾフラン-4-メタノールベンゾアート
  • (1S)-1-[(1S,2R,6S,7R)-3,5-ジオキソ-4,10-ジオキサトリシクロ[5.2.1.02,6]デカン-1-イル]エチル ベンゾアート
  • (1S)-1-[(1S,2R,6S,7R)-3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]ethyl benzoate
Other name (1):
  • (αS,3aR)-α-Methyl-1,3-dioxo-1,3,3aα,4,5,6,7,7aα-octahydro-4β,7β-epoxyisobenzofuran-4-methanol benzoate
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