Desoxohypericin Hexaacetate
[CAS# 120907-97-3]

Identification

• Name: Desoxohypericin Hexaacetate
• Synonyms: Desoxohypericin Hexaacetate
• Molecular Formula: C₄₂H₃₀O₁₂
• Molecular Weight: 726.69
• CAS Registry Number: 120907-97-3
• SMILES: C3=C8C7=C4C1=C6C(=CC2=C1C(=C(C=C2OC(C)=O)OC(C)=O)C5=C(C=C(C3=C45)OC(C)=O)OC(C)=O)C(=CC(=C6C7=C(C=C8OC(C)=O)C)C)OC(C)=O
• InChI: 1S/C42H30O12/c1-15-9-27(49-17(3)43)23-11-25-29(51-19(5)45)13-31(53-21(7)47)39-37(25)41-35(23)33(15)34-16(2)10-28(50-18(4)44)24-12-26-30(52-20(6)46)14-32(54-22(8)48)40(39)38(26)42(41)36(24)34/h9-14H,1-8H3
• InChIKey: YOXPUNVRTABBAI-UHFFFAOYSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 880.63°C at 760 mmHg (Cal.)
• Flash point: 355.57°C (Cal.)