Tingenone
[CAS# 50802-21-6]

Identification

• Name: Tingenone
• Synonyms: (6Ar,6Br,8As,11R,12Ar,14Ar)-3-Hydroxy-4,6A,6B,8A,11,14A-Hexamethyl-7,8,9,11,12,12A,13,14-Octahydropicene-2,10-Quinone; C08638; Tingenone
• Molecular Formula: C₂₈H₃₆O₃
• Molecular Weight: 420.59
• CAS Registry Number: 50802-21-6
• SMILES: [C@@]15([C@@](CC[C@@]2([C@H]1C[C@H](C(=O)C2)C)C)(C4=CC=C3C(=CC(=O)C(=C3C)O)[C@@]4(CC5)C)C)C
• InChI: 1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27+,28-/m1/s1
• InChIKey: WSTYNZDAOAEEKG-QSPBTJQRSA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 606.519°C at 760 mmHg (Cal.)
• Flash point: 334.635°C (Cal.)