Chem
J-GLOBAL ID：200907056040336759   Nikkaji number：J816.650A

3′-Acetylindicine

3′-アセチルインジシン
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： C17H27NO6
Molecular formula furigana： C17-H27-N-O6
Molecular weight： 341.404
InChI： InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)24-12(4)19)16(21)23-9-13-5-7-18-8-6-14(20)15(13)18/h5,10-11,14-15,20,22H,6-9H2,1-4H3/t11-,14+,15+,17+/m0/s1
InChI key： YFQPDKABPCMKCA-LDXOSZSPSA-N
SMILES： CC(C)[C@@](O)([C@H](C)OC(=O)C)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
Systematic name  (3)：
  • (2R,3S)-2-ヒドロキシ-2-イソプロピル-3-アセトキシ酪酸[(1R,7aβ)-2,3,5,7a-テトラヒドロ-1-ヒドロキシ-1H-ピロリザイン]-7-イルメチル
  • [(1R,7aR)-1-ヒドロキシ-2,3,5,7a-テトラヒドロ-1H-ピロリジン-7-イル]メチル (2R)-2-[(1S)-1-(アセチルオキシ)エチル]-2-ヒドロキシ-3-メチルブタノアート
  • [(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R)-2-[(1S)-1-(acetyloxy)ethyl]-2-hydroxy-3-methylbutanoate
Other name (3)：
  • 3′-アセチルインジシン
  • 3′-Acetylindicine
  • (2R,3S)-2-Hydroxy-2-isopropyl-3-acetoxybutyric acid [(1R,7aβ)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin]-7-ylmethyl ester
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