Chem
J-GLOBAL ID：201907020813442696   Nikkaji number：J3.733.480D

2-[[(1S)-1-ベンジル-2-ヒドロキシエチル]アミノ]-14-オキサビシクロ[11.2.2]ヘプタデカ-1,13(17)-ジエン-15,16-ジオン

2-[[(1S)-1-ベンジル-2-ヒドロキシエチル]アミノ]-14-オキサビシクロ[11.2.2]ヘプタデカ-1,13(17)-ジエン-15,16-ジオン
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： C25H33NO4
Molecular formula furigana： C25-H33-N-O4
Molecular weight： 411.542
InChI： InChI=1S/C25H33NO4/c27-18-20(16-19-12-8-7-9-13-19)26-22-15-11-6-4-2-1-3-5-10-14-21-17-23(28)24(22)25(29)30-21/h7-9,12-13,17,20,26-27H,1-6,10-11,14-16,18H2/t20-/m0/s1
InChI key： ZJZVPLMISHMMRL-FQEVSTJZSA-N
SMILES： C12=C(CCCCCCCCCCC(=CC1=O)OC2=O)N[C@H](CO)Cc1ccccc1
Systematic name  (3)：
  • 2-[[(1S)-1-ベンジル-2-ヒドロキシエチル]アミノ]-14-オキサビシクロ[11.2.2]ヘプタデカ-1,13(17)-ジエン-15,16-ジオン
  • 2-{[(2S)-1-ヒドロキシ-3-フェニルプロパン-2-イル]アミノ}-14-オキサビシクロ[11.2.2]ヘプタデカ-1,13(17)-ジエン-15,16-ジオン
  • 2-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-14-oxabicyclo[11.2.2]heptadeca-1,13(17)-diene-15,16-dione
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