(4aR,4bS,7S,10aS)-1,1,4a,7-Tetramethyl-7-vinyl-4,4b,5,6,10,10a-hexahydro-3H-phenanthrene-2,9-dione
[CAS# 90044-20-5]

Identification

• Name: (4aR,4bS,7S,10aS)-1,1,4a,7-Tetramethyl-7-vinyl-4,4b,5,6,10,10a-hexahydro-3H-phenanthrene-2,9-dione
• Synonyms: (4Ar,4Bs,7S,10As)-1,1,4A,7-Tetramethyl-7-Vinyl-4,4B,5,6,10,10A-Hexahydro-3H-Phenanthrene-2,9-Dione; (4Ar,4Bs,7S,10As)-1,1,4A,7-Tetramethyl-7-Vinyl-4,4B,5,6,10,10A-Hexahydro-3H-Phenanthrene-2,9-Quinone
• Molecular Formula: C₂₀H₂₈O₂
• Molecular Weight: 300.44
• CAS Registry Number: 90044-20-5
• SMILES: [C@@]12([C@@H](C(C)(C)C(CC1)=O)CC(C3=C[C@@](CC[C@@H]23)(C=C)C)=O)C
• InChI: 1S/C20H28O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,16H,1,7-11H2,2-5H3/t14-,16-,19-,20+/m1/s1
• InChIKey: IOCKHKBAJGJHFL-FCNFAXOHSA-N

Properties

• Density: 1.05g/cm³ (Cal.)
• Boiling point: 413.82°C at 760 mmHg (Cal.)
• Flash point: 154.834°C (Cal.)