Chem
J-GLOBAL ID:200907049043322825   Nikkaji number:J963.206I

(3R,10R)-3,5aα-Dimethyl-10-methoxyoctahydro-3β,9aβ-(epoxymethano)-3H-1,2-benzodioxepin

(3R,10R)-3,5aα-ジメチル-10-メトキシオクタヒドロ-3β,9aβ-(エポキシメタノ)-3H-1,2-ベンゾジオキセピン
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: C13H22O4
Molecular formula furigana: C13-H22-O4
Molecular weight: 242.315
InChI: InChI=1S/C13H22O4/c1-11-6-4-5-7-13(11)10(14-3)15-12(2,9-8-11)16-17-13/h10H,4-9H2,1-3H3/t10-,11-,12-,13-/m1/s1
InChI key: DKZCKRATCILIKZ-FDYHWXHSSA-N
SMILES: CO[C@@H]1O[C@@]2(C)CC[C@@]3(C)CCCC[C@@]13OO2
Systematic name  (5):
  • (3R,10R)-3,5aα-ジメチル-10-メトキシオクタヒドロ-3β,9aβ-(エポキシメタノ)-3H-1,2-ベンゾジオキセピン
  • (3R,5aR,9aS,10R)-10-メトキシ-3,5aα-ジメチル-3,4,5,5a,6,7,8,9-オクタヒドロ-3,9a-(エポキシメタノ)-9aH-1,2-ベンゾジオキセピン
  • (3R,9aS)-3,4,5,5a,6,7,8,9-オクタヒドロ-1α-メトキシ-3,5aα-ジメチル-1H-3α,9aα-エピジオキシ-2-ベンゾオキセピン
  • (1S,6R,9R,12R)-12-メトキシ-6,9-ジメチル-10,11,13-トリオキサトリシクロ[7.2.2.01,6]トリデカン
  • (1S,6R,9R,12R)-12-methoxy-6,9-dimethyl-10,11,13-trioxatricyclo[7.2.2.01,6]tridecane
Other name (3):
  • (3R,10R)-3,5aα-Dimethyl-10-methoxyoctahydro-3β,9aβ-(epoxymethano)-3H-1,2-benzodioxepin
  • (3R,5aR,9aS,10R)-10-Methoxy-3,5aα-dimethyl-3,4,5,5a,6,7,8,9-octahydro-3,9a-(epoxymethano)-9aH-1,2-benzodioxepin
  • (3R,9aS)-3,4,5,5a,6,7,8,9-Octahydro-1α-methoxy-3,5aα-dimethyl-1H-3α,9aα-epidioxy-2-benzoxepin
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