Integracin B
[CAS# 224186-05-4]

Identification

• Name: Integracin B
• Synonyms: 2,4-Dihydroxy-6-[(8R)-8-hydroxyundecyl]benzoic Acid (1R)-8-(3,5-Dihydroxyphenyl)-1-propyloctyl Ester
• Molecular Formula: C₃₅H₅₄O₇
• Molecular Weight: 586.80
• CAS Registry Number: 224186-05-4
• SMILES: CCCC(CCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)OC(CCC)CCCCCCCC2=CC(=CC(=C2)O)O)O
• InChI: 1S/C35H54O7/c1-3-15-28(36)19-13-9-6-8-12-18-27-23-31(39)25-33(40)34(27)35(41)42-32(16-4-2)20-14-10-5-7-11-17-26-21-29(37)24-30(38)22-26/h21-25,28,32,36-40H,3-20H2,1-2H3/t28-,32-/m1/s1
• InChIKey: IKNYNBVDLOWJFN-AKGWNBJDSA-N

Properties

• Density: 1.114±0.06g/cm³ (Cal.)
• Boiling point: 759.5±59.0°C (Expl.)
• solubility: Soluble in Ethanol, Methanol, DMF, DMSO