alpha-Collatolic acid
[CAS# 522-52-1]

Identification

• Name: alpha-Collatolic acid
• Synonyms: 3-Hydroxy-9-Methoxy-6-Oxo-1,7-Bis(2-Oxoheptyl)-2-Benzo[B][1,4]Benzodioxepinecarboxylic Acid; 3-Hydroxy-6-Keto-1,7-Bis(2-Ketoheptyl)-9-Methoxy-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid; Aids-138688
• Molecular Formula: C₂₉H₃₄O₉
• Molecular Weight: 526.58
• CAS Registry Number: 522-52-1
• SMILES: C1=C2C(=C(CC(=O)CCCCC)C(=C1O)C(=O)O)OC3=C(C(O2)=O)C(=CC(=C3)OC)CC(=O)CCCCC
• InChI: 1S/C29H34O9/c1-4-6-8-10-18(30)12-17-13-20(36-3)15-23-25(17)29(35)38-24-16-22(32)26(28(33)34)21(27(24)37-23)14-19(31)11-9-7-5-2/h13,15-16,32H,4-12,14H2,1-3H3,(H,33,34)
• InChIKey: QLTNFHFQLMFRBN-UHFFFAOYSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 721.344°C at 760 mmHg (Cal.)
• Flash point: 234.57°C (Cal.)