3-Hydroxy-1-Methyl-1,3,5(10)-Estratriene-11,17-Dione
[CAS# 55675-00-8]

Identification

• Name: 3-Hydroxy-1-Methyl-1,3,5(10)-Estratriene-11,17-Dione
• Synonyms: (8S,9S,13S,14S)-3-Hydroxy-1,13-Dimethyl-6,7,8,9,12,14,15,16-Octahydrocyclopenta[A]Phenanthrene-11,17-Quinone; 3-Hydroxy-1-Methyl-1,3,5(10)-Estratriene-11,17-Dione; Estra-1,3,5(10)-Triene-11,17-Dione, 3-Hydroxy-1-Methyl-
• Molecular Formula: C₁₉H₂₂O₃
• Molecular Weight: 298.38
• CAS Registry Number: 55675-00-8
• SMILES: [C@]14([C@H]([C@H]3[C@H](C(C1)=O)C2=C(C=C(C=C2C)O)CC3)CCC4=O)C
• InChI: 1S/C19H22O3/c1-10-7-12(20)8-11-3-4-13-14-5-6-16(22)19(14,2)9-15(21)18(13)17(10)11/h7-8,13-14,18,20H,3-6,9H2,1-2H3/t13-,14-,18+,19-/m0/s1
• InChIKey: XDIANMSKTYRYAF-QAMTZSDWSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 505.023°C at 760 mmHg (Cal.)
• Flash point: 273.32°C (Cal.)