Chem
J-GLOBAL ID：200907052844419376   Nikkaji number：J846.805B

Sarracine

サラシン
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： C18H27NO5
Molecular formula furigana： C18-H27-N-O5
Molecular weight： 337.416
InChI： InChI=1S/C18H27NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-5,14-16,20H,6-11H2,1-3H3/b12-4-,13-5-/t14-,15-,16-/m1/s1
InChI key： YMUQRQKYYOWGPN-SLEGRLQASA-N
SMILES： C/C=C(/C)\C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)/C(=C\C)/CO)[C@H]12
Systematic name  (3)：
  • (Z)-2-(ヒドロキシメチル)-2-ブテン酸[(1S,7aα)-7β-[[(Z)-2-メチル-2-ブテノイル]オキシ]ヘキサヒドロ-1H-ピロリザイン]-1β-イルメチル
  • [(1S,7R,7aR)-7-{[(2Z)-2-メチルブタ-2-エノイル]オキシ}-ヘキサヒドロ-1H-ピロリジン-1-イル]メチル (2Z)-2-(ヒドロキシメチル)ブタ-2-エノアート
  • [(1S,7R,7aR)-7-{[(2Z)-2-methylbut-2-enoyl]oxy}-hexahydro-1H-pyrrolizin-1-yl]methyl (2Z)-2-(hydroxymethyl)but-2-enoate
Other name (3)：
  • サラシン
  • Sarracine
  • (Z)-2-(Hydroxymethyl)-2-butenoic acid [(1S,7aα)-7β-[[(Z)-2-methyl-2-butenoyl]oxy]hexahydro-1H-pyrrolizin]-1β-ylmethyl ester
CAS registry number： 2492-09-3
KEGG COMPOUND： C10383
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