(E)-5-Acetyloxy-2-Amino-3,4,14-Trihydroxyicos-6-Enoic Acid
[CAS# 121025-46-5]

Identification

• Name: (E)-5-Acetyloxy-2-Amino-3,4,14-Trihydroxyicos-6-Enoic Acid
• Synonyms: (E)-5-Acetoxy-2-Amino-3,4,14-Trihydroxy-Icos-6-Enoic Acid; (E)-5-Acetoxy-2-Amino-3,4,14-Trihydroxyicos-6-Enoic Acid; (E)-5-Acetyloxy-2-Amino-3,4,14-Trihydroxy-Icos-6-Enoic Acid
• Molecular Formula: C₂₂H₄₁NO₇
• Molecular Weight: 431.57
• CAS Registry Number: 121025-46-5
• SMILES: C(/C=C/C(OC(=O)C)C(O)C(O)C(N)C(=O)O)CCCCCC(O)CCCCCC
• InChI: 1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(30-16(2)24)20(26)21(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+
• InChIKey: PBKBHDLANIOIKK-NTCAYCPXSA-N

Properties

• Density: 1.131g/cm³ (Cal.)
• Boiling point: 627.849°C at 760 mmHg (Cal.)
• Flash point: 333.511°C (Cal.)