Spathulin
[CAS# 7706-45-8]

Identification

• Name: Spathulin
• Synonyms: (4-Acetoxy-6,8-Dihydroxy-5,8A-Dimethyl-1-Methylene-2-Oxo-4,5,5A,6,7,8,9,9A-Octahydro-3Ah-Azuleno[6,5-B]Furan-9-Yl) Acetate; Acetic Acid (4-Acetoxy-6,8-Dihydroxy-5,8A-Dimethyl-1-Methylene-2-Oxo-4,5,5A,6,7,8,9,9A-Octahydro-3Ah-Azuleno[6,5-B]Furan-9-Yl) Ester; Acetic Acid (4-Acetoxy-6,8-Dihydroxy-2-Keto-5,8A-Dimethyl-1-Methylene-4,5,5A,6,7,8,9,9A-Octahydro-3Ah-Azuleno[5,6-D]Furan-9-Yl) Ester
• Molecular Formula: C₁₉H₂₆O₈
• Molecular Weight: 382.41
• CAS Registry Number: 7706-45-8
• SMILES: CC13C(C(C(OC(=O)C)C2C(C1OC(=O)C)C(C(=O)O2)=C)C)C(O)CC3O
• InChI: 1S/C19H26O8/c1-7-13-16(27-18(7)24)15(25-9(3)20)8(2)14-11(22)6-12(23)19(14,5)17(13)26-10(4)21/h8,11-17,22-23H,1,6H2,2-5H3
• InChIKey: DBJWOTDYVYVATC-UHFFFAOYSA-N

Properties

• Density: 1.323g/cm³ (Cal.)
• Boiling point: 539.181°C at 760 mmHg (Cal.)
• Flash point: 188.335°C (Cal.)