trans-1,2,11,12-Tetrahydro-3-Methylbenz(j)Aceanthrylene-11,12-Diol
[CAS# 3343-01-9]

Identification

• Name: trans-1,2,11,12-Tetrahydro-3-Methylbenz(j)Aceanthrylene-11,12-Diol
• Synonyms: 11,12-Cholanthrenediol, 11,12-Dihydro-3-Methyl-; Benz[J]Aceanthrylene-11,12-Diol, 1,2,11,12-Tetrahydro-3-Methyl-; 3-Methylcholanthrene-11,12-Dihydrodiol
• Molecular Formula: C₂₁H₁₈O₂
• Molecular Weight: 302.37
• CAS Registry Number: 3343-01-9
• SMILES: C1=C5C4=C(C3=C1C2=C(C=CC=C2)C(C3O)O)CCC4=C(C=C5)C
• InChI: 1S/C21H18O2/c1-11-6-7-12-10-17-14-4-2-3-5-15(14)20(22)21(23)19(17)16-9-8-13(11)18(12)16/h2-7,10,20-23H,8-9H2,1H3
• InChIKey: VYBHBOMWVZUGOW-UHFFFAOYSA-N

Properties

• Density: 1.363g/cm³ (Cal.)
• Boiling point: 553.722°C at 760 mmHg (Cal.)
• Flash point: 264.422°C (Cal.)