9,10-Epoxy-7,8-Dihydroxy-7,8,9,10-Tetrahydro-5-Methylchrysene
[CAS# 81851-67-4]

Identification

• Name: 9,10-Epoxy-7,8-Dihydroxy-7,8,9,10-Tetrahydro-5-Methylchrysene
• Synonyms: Anti-(+-)-Trans-7,8,9,10-Tetrahydro-5-Methylchrysene-7,8-Diol-9,10-Epoxide; 5-Methylchrysene-7R,8S-Diol-9S,10R-Epoxide; Ccris 1749
• Molecular Formula: C₁₉H₁₆O₃
• Molecular Weight: 292.33
• CAS Registry Number: 81851-67-4
• SMILES: [C@H]4([C@H](C3=C(C2=C(C1=CC=CC=C1C=C2)C(=C3)C)[C@H]5[C@@H]4O5)O)O
• InChI: 1S/C19H16O3/c1-9-8-13-15(18-19(22-18)17(21)16(13)20)12-7-6-10-4-2-3-5-11(10)14(9)12/h2-8,16-21H,1H3/t16-,17+,18-,19+/m0/s1
• InChIKey: LMQWCOZFQUNBGM-ZSYWTGECSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 570.647°C at 760 mmHg (Cal.)
• Flash point: 298.917°C (Cal.)