Integracin A
[CAS# 224186-03-2]

Identification

• Name: Integracin A
• Synonyms: Benzoic acid, 2-[(8R)-8-(acetyloxy)undecyl]-4,6-dihydroxy-, (1R)-8-(3,5-dihydroxyphenyl)-1-propyloctyl ester
• Molecular Formula: C₃₇H₅₆O₈
• Molecular Weight: 628.84
• CAS Registry Number: 224186-03-2
• SMILES: CCCC(CCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)OC(CCC)CCCCCCCC2=CC(=CC(=C2)O)O)OC(=O)C
• InChI: 1S/C37H56O8/c1-4-16-33(44-27(3)38)20-14-11-7-9-13-19-29-24-32(41)26-35(42)36(29)37(43)45-34(17-5-2)21-15-10-6-8-12-18-28-22-30(39)25-31(40)23-28/h22-26,33-34,39-42H,4-21H2,1-3H3/t33-,34-/m1/s1
• InChIKey: LCCCZIASPPCLCU-KKLWWLSJSA-N

Properties

• Density: 1.112±0.06g/cm³ (Cal.)
• Boiling point: 764.8±59.0°C (Cal.)
• solubility: Soluble in Ethanol, Methanol, DMF, DMSO