Clausmarin
[CAS# 67604-65-3]

Identification

• Name: Clausmarin
• Synonyms: 8H-Dipyrano(3,2-B:3',2'-G)(1)Benzopyran-8-One, 2,3,4,4A,12,12A-Hexahydro-9-(1,1-Dimethyl-2-Propenyl)-2-(1-Hydroxy-1-Methylethyl)-4A-Methyl-; 8H-Dipyrano(3,2-B:3',2'-G)(1)Benzopyran-8-One, 9-(1,1-Dimethyl-2-Propenyl)-2,3,4,4A,12,12A-Hexahydro-2-(1-Hydroxy-1-Methylethyl)-4A-Methyl-; Clausmarin
• Molecular Formula: C₂₄H₃₀O₅
• Molecular Weight: 398.50
• CAS Registry Number: 67604-65-3
• SMILES: C2=C1C=C(C(C=C)(C)C)C(OC1=CC4=C2CC3OC(C(C)(C)O)CCC3(O4)C)=O
• InChI: 1S/C24H30O5/c1-7-22(2,3)16-11-14-10-15-12-20-24(6,9-8-19(28-20)23(4,5)26)29-18(15)13-17(14)27-21(16)25/h7,10-11,13,19-20,26H,1,8-9,12H2,2-6H3
• InChIKey: KQYZOQQWBTXSDF-UHFFFAOYSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 542.76°C at 760 mmHg (Cal.)
• Flash point: 182.643°C (Cal.)