Chem
J-GLOBAL ID：200907046971531495   Nikkaji number：J13.426K

Crotanecine

クロタネシン
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： C8H13NO3
Molecular formula furigana： C8-H13-N-O3
Molecular weight： 171.196
InChI： InChI=1S/C8H13NO3/c10-4-5-1-2-9-3-6(11)8(12)7(5)9/h1,6-8,10-12H,2-4H2/t6-,7-,8-/m1/s1
InChI key： VMWCRDCGNVMCGJ-BWZBUEFSSA-N
SMILES： OCC1=CCN2C[C@@H](O)[C@@H](O)[C@@H]12
Systematic name  (4)：
  • (7aR)-5,6,7,7aα-テトラヒドロ-6β,7β-ジヒドロキシ-3H-ピロリザイン-1-メタノール
  • (5R,6S,7R)-4-ヒドロキシメチル-1-アザビシクロ[3.3.0]オクタ-3-エン-6,7-ジオール
  • (1S,2R,7aR)-7-(ヒドロキシメチル)-2,3,5,7a-テトラヒドロ-1H-ピロリジン-1,2-ジオール
  • (1S,2R,7aR)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizine-1,2-diol
Other name (3)：
  • クロタネシン
  • Crotanecine
  • (5R,6S,7R)-4-Hydroxymethyl-1-azabicyclo[3.3.0]oct-3-ene-6,7-diol
CAS registry number： 5096-50-4
KEGG COMPOUND： C10284
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