1,9,10-Trihydroxy-9,10-Dihydro-3-Methylcholanthrene
[CAS# 68780-95-0]

Identification

• Name: 1,9,10-Trihydroxy-9,10-Dihydro-3-Methylcholanthrene
• Synonyms: Benz(J)Aceanthrylene-1,9,10-Triol, 1,2,9,10-Tetrahydro-3-Methyl-; Cholanthrene-1,9,10-Triol, 9,10-Dihydro-3-Methyl-
• Molecular Formula: C₂₁H₁₈O₃
• Molecular Weight: 318.37
• CAS Registry Number: 68780-95-0
• SMILES: C4=CC3=C1C(O)CC2=C(C=CC(=C12)C=C3C5=C4C(C(C=C5)O)O)C
• InChI: 1S/C21H18O3/c1-10-2-3-11-8-16-12-6-7-17(22)21(24)14(12)5-4-13(16)20-18(23)9-15(10)19(11)20/h2-8,17-18,21-24H,9H2,1H3
• InChIKey: HCAPYAKTGHZBKU-UHFFFAOYSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 644.505°C at 760 mmHg (Cal.)
• Flash point: 308.313°C (Cal.)