trans-3-Methyl-4,5-Dihydrocholanthrene-4,5-Diol
[CAS# 68688-85-7]

Identification

• Name: trans-3-Methyl-4,5-Dihydrocholanthrene-4,5-Diol
• Synonyms: Cholanthrene-4,5-Diol, 4,5-Dihydro-3-Methyl-, (E)-; Trans-1,2-Dihydro-3-Methylcholanthrene-4,5-Dihydrodiol; Trans-3-Methyl-4,5-Dihydrocholanthrene-4,5-Diol
• Molecular Formula: C₂₁H₁₈O₂
• Molecular Weight: 302.37
• CAS Registry Number: 68688-85-7 (3343-04-2)
• SMILES: C4=CC3=C2C1=C(C(O)C(C(=C1CC2)C)O)C=C3C5=C4C=CC=C5
• InChI: 1S/C21H18O2/c1-11-13-8-9-16-15-7-6-12-4-2-3-5-14(12)17(15)10-18(19(13)16)21(23)20(11)22/h2-7,10,20-23H,8-9H2,1H3
• InChIKey: FTCYTLPWERPCGJ-UHFFFAOYSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 570.018°C at 760 mmHg (Cal.)
• Flash point: 272.728°C (Cal.)