9-Hydroxy-5,8a-Dimethyl-1-Methylidene-3a,4,5,5a,9,9a-Hexahydroazuleno[7,6-D]Furan-2,8-Dione
[CAS# 73680-94-1]

Identification

• Name: 9-Hydroxy-5,8a-Dimethyl-1-Methylidene-3a,4,5,5a,9,9a-Hexahydroazuleno[7,6-D]Furan-2,8-Dione
• Synonyms: 9-Hydroxy-5,8A-Dimethyl-1-Methylene-3A,4,5,5A,9,9A-Hexahydroazuleno[7,6-D]Furan-2,8-Dione; 9-Hydroxy-5,8A-Dimethyl-1-Methylene-3A,4,5,5A,9,9A-Hexahydroazuleno[7,6-D]Furan-2,8-Quinone; Helenalin, Sample A
• Molecular Formula: C₁₅H₁₈O₄
• Molecular Weight: 262.30
• CAS Registry Number: 73680-94-1
• SMILES: CC2C3C(C(C1C(OC(C1=C)=O)C2)O)(C(C=C3)=O)C
• InChI: 1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3
• InChIKey: ZVLOPMNVFLSSAA-UHFFFAOYSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 473.041°C at 760 mmHg (Cal.)
• Flash point: 179.91°C (Cal.)