Isovesiculosin
[CAS# 96935-22-7]

Identification

• Name: Isovesiculosin
• Synonyms: Isovesiculosin; Nsc374343; Vesculosin, Iso (B671071k104)
• Molecular Formula: C₃₀H₄₂O₉
• Molecular Weight: 546.66
• CAS Registry Number: 96935-22-7
• SMILES: C(O)C12OC1C4C(O)(C3C(O)(C2O)C(=O)C(=C3)C)C(CC(OC(=O)\C=C\C=C\CCCCC)(C4O)C(=C)C)C
• InChI: 1S/C30H42O9/c1-6-7-8-9-10-11-12-13-21(32)38-27(17(2)3)15-19(5)29(36)20-14-18(4)23(33)30(20,37)26(35)28(16-31)25(39-28)22(29)24(27)34/h10-14,19-20,22,24-26,31,34-37H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12+
• InChIKey: YVVNYYRTWOFPMR-AQASXUMVSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 706.231°C at 760 mmHg (Cal.)
• Flash point: 225.275°C (Cal.)