Chem
J-GLOBAL ID:200907050681256641   Nikkaji number:J1.573.566J

(5S,10R)-5,10-Dimethyl-7-ethoxy-5β,8β-epoxy-7α,9α-(epoxymethano)-6,7,8,9-tetrahydro-5H-benzocycloheptene

(5S,10R)-5,10-ジメチル-7-エトキシ-5β,8β-エポキシ-7α,9α-(エポキシメタノ)-6,7,8,9-テトラヒドロ-5H-ベンゾシクロヘプテン
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: C16H20O3
Molecular formula furigana: C16-H20-O3
Molecular weight: 260.333
InChI: InChI=1S/C16H20O3/c1-4-17-16-9-15(3)12-8-6-5-7-11(12)13(10(2)18-16)14(16)19-15/h5-8,10,13-14H,4,9H2,1-3H3/t10-,13-,14+,15+,16+/m1/s1
InChI key: VXZKOWYECAAXAJ-DMHMKPBJSA-N
SMILES: CCO[C@]12C[C@]3(C)O[C@H]1[C@H]([C@@H](C)O2)c1ccccc31
Systematic name  (4):
  • (5S,12R)-7-エトキシ-9,12-ジメチル-7β,5β-(エポキシメタノ)-6α,9α-エポキシ-6,7,8,9-テトラヒドロ-5H-ベンゾシクロヘプテン
  • (5S,10R)-5,10-ジメチル-7-エトキシ-5β,8β-エポキシ-7α,9α-(エポキシメタノ)-6,7,8,9-テトラヒドロ-5H-ベンゾシクロヘプテン
  • (1S,8S,9R,11S,12S)-11-エトキシ-1,9-ジメチル-10,13-ジオキサテトラシクロ[9.2.1.02,7.08,12]テトラデカ-2,4,6-トリエン
  • (1S,8S,9R,11S,12S)-11-ethoxy-1,9-dimethyl-10,13-dioxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6-triene
Other name (2):
  • (5S,12R)-7-Ethoxy-9,12-dimethyl-7β,5β-(epoxymethano)-6α,9α-epoxy-6,7,8,9-tetrahydro-5H-benzocycloheptene
  • (5S,10R)-5,10-Dimethyl-7-ethoxy-5β,8β-epoxy-7α,9α-(epoxymethano)-6,7,8,9-tetrahydro-5H-benzocycloheptene
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