(1-alpha,9-alpha,10-beta)-1,9,10-Trihydroxy-9,10-Dihydro-3-Methylcholanthrene
[CAS# 65831-43-8]

Identification

• Name: (1-alpha,9-alpha,10-beta)-1,9,10-Trihydroxy-9,10-Dihydro-3-Methylcholanthrene
• Synonyms: Ccris 1295
• Molecular Formula: C₂₁H₁₈O₃
• Molecular Weight: 318.37
• CAS Registry Number: 65831-43-8
• SMILES: [C@H]4(CC1=C5C(=CC=C1C)C=C3C2=C([C@@H]([C@H](C=C2)O)O)C=CC3=C45)O
• 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/t17-,18+,21-/m0/s1
• InChIKey: HCAPYAKTGHZBKU-UEXGIBASSA-N

Properties

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