(8R,9S,10R,13S,14S)-4-Hydroxy-2,2,10,13-Tetramethyl-1,6,7,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthrene-3,17-Dione
[CAS# 132609-68-8]

Identification

• Name: (8R,9S,10R,13S,14S)-4-Hydroxy-2,2,10,13-Tetramethyl-1,6,7,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthrene-3,17-Dione
• Synonyms: (8R,9S,10R,13S,14S)-4-Hydroxy-2,2,10,13-Tetramethyl-1,6,7,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthrene-3,17-Quinone; 2,2-Dhad; 2,2-Dimethyl-4-Hydroxy-4-Androstene-3,17-Dione
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 132609-68-8
• SMILES: [C@H]23[C@@H]([C@@]1(C(=C(O)C(=O)C(C1)(C)C)CC2)C)CC[C@]4([C@H]3CCC4=O)C
• InChI: 1S/C21H30O3/c1-19(2)11-21(4)14-9-10-20(3)13(7-8-16(20)22)12(14)5-6-15(21)17(23)18(19)24/h12-14,23H,5-11H2,1-4H3/t12-,13-,14-,20-,21+/m0/s1
• InChIKey: GASOXWYLNQSLDI-SVYLRGBCSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 479.133°C at 760 mmHg (Cal.)
• Flash point: 257.68°C (Cal.)