Chem
J-GLOBAL ID:200907074032229321   Nikkaji number:J1.030.592F

(3R,5aα,8aα,12aR)-Decahydro-3,6α,9β-trimethyl-3β,12α-epoxy-10β-(2,2,3,4,4,4-hexafluorobutoxy)pyrano[4,3-j]-1,2-benzodioxepin

(3R,5aα,8aα,12aR)-デカヒドロ-3,6α,9β-トリメチル-3β,12α-エポキシ-10β-(2,2,3,4,4,4-ヘキサフルオロブトキシ)ピラノ[4,3-j]-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: C19H26F6O5
Molecular formula furigana: C19-H26-F6-O5
Molecular weight: 448.402
InChI: InChI=1S/C19H26F6O5/c1-9-4-5-12-10(2)13(26-8-17(21,22)14(20)19(23,24)25)27-15-18(12)11(9)6-7-16(3,28-15)29-30-18/h9-15H,4-8H2,1-3H3/t9-,10-,11+,12+,13+,14?,15-,16-,18-/m1/s1
InChI key: DFBXOAXDWYYGMV-IUKTWCLQSA-N
SMILES: C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(F)(F)C(F)C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Systematic name  (3):
  • (3R,5aα,8aα,12aR)-デカヒドロ-3,6α,9β-トリメチル-3β,12α-エポキシ-10β-(2,2,3,4,4,4-ヘキサフルオロブトキシ)ピラノ[4,3-j]-1,2-ベンゾジオキセピン
  • (1R,4S,5R,8S,9R,10S,12R,13R)-10-(2,2,3,4,4,4-ヘキサフルオロブトキシ)-1,5,9-トリメチル-11,14,15,16-テトラオキサテトラシクロ[10.3.1.04,13.08,13]ヘキサデカン
  • (1R,4S,5R,8S,9R,10S,12R,13R)-10-(2,2,3,4,4,4-hexafluorobutoxy)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Other name (1):
  • (3R,5aα,8aα,12aR)-Decahydro-3,6α,9β-trimethyl-3β,12α-epoxy-10β-(2,2,3,4,4,4-hexafluorobutoxy)pyrano[4,3-j]-1,2-benzodioxepin
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