3-Mca-Anti-9,10-Diol-7,8-Epoxide
[CAS# 79647-25-9]

Identification

• Name: 3-Mca-Anti-9,10-Diol-7,8-Epoxide
• Synonyms: 9,10-Dihydroxy-7,8-Epoxy-7,8,9,10-Tetrahydro-3-Methylcholanthrene; Indeno(7',1':6,7,8)Phenanthro(3,4-B)Oxirane-2,3-Diol, 1A,2,3,6,7,11C-Hexahydro-8-Methyl-, (1As-(1A-Alpha,2-Beta,3-Alpha,11C-Alpha))-; Indeno(7',1':6,7,8)Phenanthro(3,4-B)Oxirene-2,3-Diol, 1A,2,3,6,7,11C-Hexahydro-8-Methyl-, (1As-(1Aalpha,2Beta,3Alpha,11Calpha))-
• Molecular Formula: C₂₁H₁₈O₃
• Molecular Weight: 318.37
• CAS Registry Number: 79647-25-9
• SMILES: C1=C(C6=C5C(=C1)C=C4C2=C(C(C(C3C2O3)O)O)C=CC4=C5CC6)C
• InChI: 1S/C21H18O3/c1-9-2-3-10-8-15-12(13-6-4-11(9)16(10)13)5-7-14-17(15)20-21(24-20)19(23)18(14)22/h2-3,5,7-8,18-23H,4,6H2,1H3
• InChIKey: IVHWSXJFXWPPMY-UHFFFAOYSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 627.782°C at 760 mmHg (Cal.)
• Flash point: 333.471°C (Cal.)