Chem
J-GLOBAL ID：200907048951636110   Nikkaji number：J696.156H

3-Piperidinopropionic acid 2-[[[(3R,5aα,8aα,12aR)-decahydro-3,6α,9β-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-10β-yl]oxy]ethyl ester

3-ピペリジノプロピオン酸2-[[[(3R,5aα,8aα,12aR)-デカヒドロ-3,6α,9β-トリメチル-3β,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン]-10β-イル]オキシ]エチル
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： C25H41NO7
Molecular formula furigana： C25-H41-N-O7
Molecular weight： 467.603
InChI： InChI=1S/C25H41NO7/c1-17-7-8-20-18(2)22(29-16-15-28-21(27)10-14-26-12-5-4-6-13-26)30-23-25(20)19(17)9-11-24(3,31-23)32-33-25/h17-20,22-23H,4-16H2,1-3H3/t17-,18-,19+,20+,22+,23-,24-,25-/m1/s1
InChI key： YTDADOMJSYLSQY-QDNCTHARSA-N
SMILES： C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOC(=O)CCN3CCCCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Systematic name  (3)：
  • 3-ピペリジノプロピオン酸2-[[[(3R,5aα,8aα,12aR)-デカヒドロ-3,6α,9β-トリメチル-3β,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン]-10β-イル]オキシ]エチル
  • 2-{[(1R,4S,5R,8S,9R,10S,12R,13R)-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-10-イル]オキシ}エチル 3-(ピペリジン-1-イル)プロパノアート
  • 2-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy}ethyl 3-(piperidin-1-yl)propanoate
Other name (1)：
  • 3-Piperidinopropionic acid 2-[[[(3R,5aα,8aα,12aR)-decahydro-3,6α,9β-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-10β-yl]oxy]ethyl ester
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