6,7-Didehydroroyleanone
[CAS# 6855-99-8]

Identification

• Name: 6,7-Didehydroroyleanone
• Synonyms: (4Bs,8As)-1-Hydroxy-2-Isopropyl-4B,8,8-Trimethyl-5,6,7,8A-Tetrahydrophenanthrene-3,4-Dione; (4Bs,8As)-1-Hydroxy-2-Isopropyl-4B,8,8-Trimethyl-5,6,7,8A-Tetrahydrophenanthrene-3,4-Quinone; 1,4-Phenanthrenedione, 4B,5,6,7,8,8A-Hexahydro-3-Hydroxy-4B,8,8-Trimethyl-2-(1-Methylethyl)-, (4Bs-Trans)-
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.42
• CAS Registry Number: 6855-99-8
• SMILES: [C@]12([C@H](C(CCC1)(C)C)C=CC3=C2C(=O)C(=O)C(=C3O)C(C)C)C
• InChI: 1S/C20H26O3/c1-11(2)14-16(21)12-7-8-13-19(3,4)9-6-10-20(13,5)15(12)18(23)17(14)22/h7-8,11,13,21H,6,9-10H2,1-5H3/t13-,20-/m0/s1
• InChIKey: DLSQHYBGHVPMAE-RBZFPXEDSA-N

Properties

• Density: 1.148g/cm³ (Cal.)
• Boiling point: 433.3°C at 760 mmHg (Cal.)
• Flash point: 229.991°C (Cal.)