[(1S,6S,7S,8R,8aR)-1,7,8-Trihydroxy-1,2,3,5,6,7,8,8a-Octahydroindolizin-6-Yl] Benzoate
[CAS# 121104-76-5]

Identification

• Name: [(1S,6S,7S,8R,8aR)-1,7,8-Trihydroxy-1,2,3,5,6,7,8,8a-Octahydroindolizin-6-Yl] Benzoate
• Synonyms: Benzoic Acid [(1S,6S,7S,8R,8Ar)-1,7,8-Trihydroxy-1,2,3,5,6,7,8,8A-Octahydroindolizin-6-Yl] Ester; Benzoic Acid [(1S,6S,7S,8R,8Ar)-1,7,8-Trihydroxyindolizidin-6-Yl] Ester; Aids-000246
• Molecular Formula: C₁₅H₁₉NO₅
• Molecular Weight: 293.32
• CAS Registry Number: 121104-76-5
• SMILES: [C@H]23N(C[C@H](OC(C1=CC=CC=C1)=O)[C@H]([C@@H]2O)O)CC[C@@H]3O
• InChI: 1S/C15H19NO5/c17-10-6-7-16-8-11(13(18)14(19)12(10)16)21-15(20)9-4-2-1-3-5-9/h1-5,10-14,17-19H,6-8H2/t10-,11-,12+,13+,14+/m0/s1
• InChIKey: DWBDMLGCCJIACZ-ODXJTPSBSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 493.973°C at 760 mmHg (Cal.)
• Flash point: 252.546°C (Cal.)