Chem
J-GLOBAL ID:200907049820683055   Nikkaji number:J1.181.669J

(1β,2α,6β,9β)-4α,5α-(Isopropylidenedioxy)-7-benzyl-12-benzyl-3,11-dioxa-7,12-diazatricyclo[7.3.0.02,6]dodecane

(1β,2α,6β,9β)-4α,5α-(イソプロピリデンジオキシ)-7-ベンジル-12-ベンジル-3,11-ジオキサ-7,12-ジアザトリシクロ[7.3.0.02,6]ドデカン
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: C25H30N2O4
Molecular formula furigana: C25-H30-N2-O4
Molecular weight: 422.525
InChI: InChI=1S/C25H30N2O4/c1-25(2)30-23-21-22(29-24(23)31-25)20-19(15-26(21)13-17-9-5-3-6-10-17)16-28-27(20)14-18-11-7-4-8-12-18/h3-12,19-24H,13-16H2,1-2H3/t19-,20+,21-,22-,23-,24-/m1/s1
InChI key: OLNKPSKNXVFAAO-MVPXGEJYSA-N
SMILES: CC1(C)O[C@H]2O[C@@H]3[C@@H]4[C@@H](CON4Cc4ccccc4)CN(Cc4ccccc4)[C@H]3[C@H]2O1
Systematic name  (3):
  • (1β,2α,6β,9β)-4α,5α-(イソプロピリデンジオキシ)-7-ベンジル-12-ベンジル-3,11-ジオキサ-7,12-ジアザトリシクロ[7.3.0.02,6]ドデカン
  • (1S,2S,6S,9R,10R,14R)-3,8-ジベンジル-12,12-ジメチル-4,11,13,15-テトラオキサ-3,8-ジアザテトラシクロ[7.6.0.02,6.010,14]ペンタデカン
  • (1S,2S,6S,9R,10R,14R)-3,8-dibenzyl-12,12-dimethyl-4,11,13,15-tetraoxa-3,8-diazatetracyclo[7.6.0.02,6.010,14]pentadecane
Other name (1):
  • (1β,2α,6β,9β)-4α,5α-(Isopropylidenedioxy)-7-benzyl-12-benzyl-3,11-dioxa-7,12-diazatricyclo[7.3.0.02,6]dodecane
Thsaurus map:

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