[(1S,6S,7S,8R,8aR)-1,7,8-Trihydroxy-1,2,3,5,6,7,8,8a-Octahydroindolizin-6-Yl] Butanoate
[CAS# 121104-96-9]

Identification

• Name: [(1S,6S,7S,8R,8aR)-1,7,8-Trihydroxy-1,2,3,5,6,7,8,8a-Octahydroindolizin-6-Yl] Butanoate
• Synonyms: Butanoic Acid [(1S,6S,7S,8R,8Ar)-1,7,8-Trihydroxy-1,2,3,5,6,7,8,8A-Octahydroindolizin-6-Yl] Ester; Butyric Acid [(1S,6S,7S,8R,8Ar)-1,7,8-Trihydroxyindolizidin-6-Yl] Ester; Butanoic Acid, Octahydro-1,7,8-Trihydroxy-6-Indolizinyl Ester, (1S-(1Alph, 6Beta
• Molecular Formula: C₁₂H₂₁NO₅
• Molecular Weight: 259.30
• CAS Registry Number: 121104-96-9
• SMILES: [C@H]12N(C[C@H](OC(=O)CCC)[C@@H](O)[C@@H]1O)CC[C@@H]2O
• InChI: 1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1
• InChIKey: HTJGLYIJVSDQAE-VWNXEWBOSA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Boiling point: 422.922°C at 760 mmHg (Cal.)
• Flash point: 209.576°C (Cal.)