(3R)-3-[(9Z,12Z)-Octadeca-9,12-Dienoyl]Oxy-4-Trimethylazaniumylbutanoate
[CAS# 36816-10-1]

Identification

• Name: (3R)-3-[(9Z,12Z)-Octadeca-9,12-Dienoyl]Oxy-4-Trimethylazaniumylbutanoate
• Synonyms: (3R)-3-[(9Z,12Z)-Octadeca-9,12-Dienoyl]Oxy-4-Trimethylammonio-Butanoate; (3R)-3-[(9Z,12Z)-1-Oxooctadeca-9,12-Dienoxy]-4-Trimethylammoniobutanoate; (3R)-3-[(9Z,12Z)-Octadeca-9,12-Dienoyl]Oxy-4-Trimethylammonio-Butyrate
• Molecular Formula: C₂₅H₄₅NO₄
• Molecular Weight: 423.63
• CAS Registry Number: 36816-10-1
• SMILES: [C@H](OC(=O)CCCCCCC\C=C/C/C=C\CCCCC)(C[N+](C)(C)C)CC([O-])=O
• InChI: 1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1
• InChIKey: MJLXQSQYKZWZCB-DQFWFXSYSA-N