Chem
J-GLOBAL ID:201007049742753751   Nikkaji number:J2.781.932J

Valeroidine

バレロイジン
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: C13H23NO3
Molecular formula furigana: C13-H23-N-O3
Molecular weight: 241.331
InChI: InChI=1S/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3/t9-,10-,11+,12-/m1/s1
InChI key: APLLVFVOTXZBFO-WISYIIOYSA-N
SMILES: CC(C)CC(=O)O[C@@H]1C[C@@H]2C[C@@H](O)[C@H](C1)N2C
Systematic name  (3):
  • 3-メチルブタン酸(1S,3R,5S,6R)-6-ヒドロキシ-8-メチル-8-アザビシクロ[3.2.1]オクタン-3-イル
  • (1S,3R,5S,6R)-6-ヒドロキシ-8-メチル-8-アザビシクロ[3.2.1]オクタン-3-イル 3-メチルブタノアート
  • (1S,3R,5S,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-methylbutanoate
Other name (3):
  • 3-Methylbutanoic acid (1S,3R,5S,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-yl ester
  • Valeroidine
  • バレロイジン
CAS registry number: 490-96-0
KEGG COMPOUND: C10869
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