12-Hydroxyandrosta-1,4-Diene-3,17-Dione
[CAS# 28840-96-2]

Identification

• Name: 12-Hydroxyandrosta-1,4-Diene-3,17-Dione
• Synonyms: (8R,9S,10R,13R,14S)-12-Hydroxy-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Quinone; 12-Hydroxyandrosta-1,4-Diene-3,17-Dione; 12-Ohdd
• Molecular Formula: C₁₉H₂₄O₃
• Molecular Weight: 300.40
• CAS Registry Number: 28840-96-2
• SMILES: [C@H]13[C@H]4[C@](C(O)C[C@@H]1[C@@]2(C(=CC(=O)C=C2)CC3)C)(C(=O)CC4)C
• InChI: 1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(21)19(14,2)17(22)10-15(13)18/h7-9,13-15,17,22H,3-6,10H2,1-2H3/t13-,14-,15-,17?,18-,19-/m0/s1
• InChIKey: ZHWCPUFUYVTHSO-LADWCZHWSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 479.027°C at 760 mmHg (Cal.)
• Flash point: 257.616°C (Cal.)