(1S,3aS,4R,7R,8S,8aR,9aR)-4,7,8-trihydroxy-1,5,8-trimethyl-1,3a,4,6,7,8a,9,9a-octahydroazuleno[5,6-d]furan-2-one
[CAS# 79236-42-3]

Identification

• Name: (1S,3aS,4R,7R,8S,8aR,9aR)-4,7,8-trihydroxy-1,5,8-trimethyl-1,3a,4,6,7,8a,9,9a-octahydroazuleno[5,6-d]furan-2-one
• Synonyms: Azuleno(6,5-B)Furan-2(3H)-One, 3A,4,4A,5,6,7,9,9A-Octahydro-5,6,9-Trihydroxy-3,5,8-Trimethyl-, (3S,3Ar,4Ar,5S,6R,9R,9As)-
• Molecular Formula: C₁₅H₂₂O₅
• Molecular Weight: 282.34
• CAS Registry Number: 79236-42-3
• SMILES: [C@H]13[C@H](OC(=O)[C@H]1C)[C@H](O)C(=C2[C@H]([C@](O)([C@H](O)C2)C)C3)C
• InChI: 1S/C15H22O5/c1-6-8-5-11(16)15(3,19)10(8)4-9-7(2)14(18)20-13(9)12(6)17/h7,9-13,16-17,19H,4-5H2,1-3H3/t7-,9+,10+,11+,12+,13-,15-/m0/s1
• InChIKey: DSOLHSWKROBKSB-HPUSRABXSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 494.864°C at 760 mmHg (Cal.)
• Flash point: 185.406°C (Cal.)