(2S-(2R*(1S*,2E,4Z,6E)))-N-Acetyl-L-Phenylalanine 7-carboxy-1-(2-methyloxiranyl)-2,4,6-heptatrienyl ester
[CAS# 85146-10-7]

Identification

• Name: (2S-(2R*(1S*,2E,4Z,6E)))-N-Acetyl-L-Phenylalanine 7-carboxy-1-(2-methyloxiranyl)-2,4,6-heptatrienyl ester
• Synonyms: (2E,4Z,6E,8R)-8-[(2S)-2-Acetamido-3-Phenyl-Propanoyl]Oxy-8-[(2S)-2-Methyloxiran-2-Yl]Octa-2,4,6-Trienoic Acid; (2E,4Z,6E,8R)-8-[(2S)-2-Acetamido-1-Oxo-3-Phenylpropoxy]-8-[(2S)-2-Methyl-2-Oxiranyl]Octa-2,4,6-Trienoic Acid; Ak-Toxin Ii
• Molecular Formula: C₂₂H₂₅NO₆
• Molecular Weight: 399.44
• CAS Registry Number: 85146-10-7
• SMILES: [C@]1(OC1)([C@H](OC([C@@H](NC(=O)C)CC2=CC=CC=C2)=O)\C=C\C=C/C=C/C(=O)O)C
• InChI: 1S/C22H25NO6/c1-16(24)23-18(14-17-10-6-5-7-11-17)21(27)29-19(22(2)15-28-22)12-8-3-4-9-13-20(25)26/h3-13,18-19H,14-15H2,1-2H3,(H,23,24)(H,25,26)/b4-3-,12-8+,13-9+/t18-,19+,22-/m0/s1
• InChIKey: UKDOGRQIIQQZBO-ARSRSNJNSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 661.001°C at 760 mmHg (Cal.)
• Flash point: 353.561°C (Cal.)