2-[(3E,6Z,9Z,12R,14S)-12-Hydroxy-14-[(2R)-2-Hydroxyundecyl]-10-Methyl-2-Oxo-1-Oxacyclotetradeca-3,6,9-Trien-4-Yl]Acetic Acid
[CAS# 113702-00-4]

Identification

• Name: 2-[(3E,6Z,9Z,12R,14S)-12-Hydroxy-14-[(2R)-2-Hydroxyundecyl]-10-Methyl-2-Oxo-1-Oxacyclotetradeca-3,6,9-Trien-4-Yl]Acetic Acid
• Synonyms: 2-[(3E,6Z,9Z,12R,14S)-12-Hydroxy-14-[(2R)-2-Hydroxyundecyl]-2-Keto-10-Methyl-1-Oxacyclotetradeca-3,6,9-Trien-4-Yl]Acetic Acid; 2-[(3E,6Z,9Z,12R,14S)-12-Hydroxy-14-[(2R)-2-Hydroxyundecyl]-10-Methyl-2-Oxo-1-Oxacyclotetradeca-3,6,9-Trien-4-Yl]Ethanoic Acid; Aerocavin
• Molecular Formula: C₂₇H₄₄O₆
• Molecular Weight: 464.64
• CAS Registry Number: 113702-00-4
• SMILES: [C@H]1(OC(=O)/C=C(/CC(=O)O)C\C=C/C/C=C(C[C@@H](O)C1)/C)C[C@H](O)CCCCCCCCC
• InChI: 1S/C27H44O6/c1-3-4-5-6-7-8-12-15-23(28)19-25-20-24(29)16-21(2)13-10-9-11-14-22(17-26(30)31)18-27(32)33-25/h9,11,13,18,23-25,28-29H,3-8,10,12,14-17,19-20H2,1-2H3,(H,30,31)/b11-9-,21-13-,22-18+/t23-,24-,25+/m1/s1
• InChIKey: OJPUZRWFAWDJHP-DSACNGRVSA-N