Geigerin
[CAS# 436-45-3]

Identification

• Name: Geigerin
• Synonyms: (1S,3Ar,5S,5Ar,9S,9As)-9-Hydroxy-1,5,8-Trimethyl-1,3A,4,5,5A,6,9,9A-Octahydroazuleno[5,6-D]Furan-2,7-Quinone; C09456; Geigerin
• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.32
• CAS Registry Number: 436-45-3
• SMILES: [C@H]13[C@H](OC(=O)[C@H]1C)C[C@@H]([C@@H]2C(=C(C(=O)C2)C)[C@H]3O)C
• InChI: 1S/C15H20O4/c1-6-4-11-13(8(3)15(18)19-11)14(17)12-7(2)10(16)5-9(6)12/h6,8-9,11,13-14,17H,4-5H2,1-3H3/t6-,8-,9+,11+,13+,14+/m0/s1
• InChIKey: BFWXQSLJSDLIAA-GSGOXJSYSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 477.472°C at 760 mmHg (Cal.)
• Flash point: 180.673°C (Cal.)