(1S,2S,4R,5S,6R,13S)-4,5,13-Trihydroxy-2,6,13-Trimethyl-8-Oxatricyclo[4.4.3.0^1,5]Tridecane-9,12-Dione
[CAS# 31090-37-6]

Identification

• Name: (1S,2S,4R,5S,6R,13S)-4,5,13-Trihydroxy-2,6,13-Trimethyl-8-Oxatricyclo[4.4.3.0^1,5]Tridecane-9,12-Dione
• Synonyms: PSEUDO-ANISATIN
• Molecular Formula: C₁₅H₂₂O₆
• Molecular Weight: 298.33
• CAS Registry Number: 31090-37-6
• SMILES: O=C3C[C@]12CC(=O)OC[C@](C)([C@]2(O)[C@H](O)C[C@@H]1C)[C@]3(C)O
• InChI: 1S/C15H22O6/c1-8-4-9(16)15(20)12(2)7-21-11(18)6-14(8,15)5-10(17)13(12,3)19/h8-9,16,19-20H,4-7H2,1-3H3/t8-,9+,12-,13+,14-,15+/m0/s1
• InChIKey: NOHXYGXFTACADH-JHLBFKOCSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 501.446°C at 760 mmHg (Cal.)
• Flash point: 186.687°C (Cal.)