Chem
J-GLOBAL ID：200907094029185365   Nikkaji number：J867.787E

Echimidine

エキミジン
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： C20H31NO7
Molecular formula furigana： C20-H31-N-O7
Molecular weight： 397.468
InChI： InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1
InChI key： HRSGCYGUWHGOPY-LYHHMGRNSA-N
SMILES： C/C=C(/C)\C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12
Systematic name  (3)：
  • (Z)-2-メチル-2-ブテン酸[(1R)-7-[[[(2R,3S)-2,3-ジヒドロキシ-2-(1-ヒドロキシ-1-メチルエチル)-1-オキソブチル]オキシ]メチル]-2,3,5,7aβ-テトラヒドロ-1H-ピロリザイン]-1α-イル
  • (1R,7aR)-7-({[(2R)-2,3-ジヒドロキシ-2-[(1S)-1-ヒドロキシエチル]-3-メチルブタノイル]オキシ}メチル)-2,3,5,7a-テトラヒドロ-1H-ピロリジン-1-イル (2Z)-2-メチルブタ-2-エノアート
  • (1R,7aR)-7-({[(2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • エキミジン
  • Echimidine
  • (Z)-2-Methyl-2-butenoic acid [(1R)-7-[[[(2R,3S)-2,3-dihydroxy-2-(1-hydroxy-1-methylethyl)-1-oxobutyl]oxy]methyl]-2,3,5,7aβ-tetrahydro-1H-pyrrolizin]-1α-yl ester
CAS registry number： 520-68-3
KEGG COMPOUND： C10299
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