(4aS,4bS,7S,9S,10aS)-9-Hydroxy-1,1,4a,7-tetramethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
[CAS# 90044-21-6]

Identification

• Name: (4aS,4bS,7S,9S,10aS)-9-Hydroxy-1,1,4a,7-tetramethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
• Synonyms: (4As,4Bs,7S,9S,10As)-9-Hydroxy-1,1,4A,7-Tetramethyl-7-Vinyl-3,4,4B,5,6,9,10,10A-Octahydrophenanthren-2-One
• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.46
• CAS Registry Number: 90044-21-6
• SMILES: [C@@]12([C@@H](C(C)(C)C(CC1)=O)C[C@@H](C3=C[C@@](CC[C@@H]23)(C=C)C)O)C
• InChI: 1S/C20H30O2/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/h6,12,14-16,21H,1,7-11H2,2-5H3/t14-,15+,16-,19-,20+/m1/s1
• InChIKey: PXSLLXAAZWPICX-YMBUTIGBSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 412.032°C at 760 mmHg (Cal.)
• Flash point: 175.91°C (Cal.)