Peltatin
[CAS# 518-29-6]

Identification

• Name: Peltatin
• Synonyms: Zinc03871713; Spectrum3_001096; Nsc35471
• Molecular Formula: C₂₂H₂₂O₈
• Molecular Weight: 414.41
• CAS Registry Number: 518-29-6
• SMILES: [C@H]2(C1=CC4=C(C(=C1C[C@@H]3[C@@H]2C(OC3)=O)O)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
• InChI: 1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1
• InChIKey: HLBPOYVRLSXWJJ-PDSMFRHLSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 586.8±50.0°C at 760 mmHg (Cal.)
• Flash point: 205.8±23.6°C (Cal.)