(1aalpha,7alpha,3beta,11balpha)-1a,2,3,11b-Tetrahydro-Benz(5,6)Anthra(1,2-b)Oxirene-2,3-Diol
[CAS# 63493-02-7]

Identification

• Name: (1aalpha,7alpha,3beta,11balpha)-1a,2,3,11b-Tetrahydro-Benz(5,6)Anthra(1,2-b)Oxirene-2,3-Diol
• Synonyms: Benz(5,6)Anthra(1,2-B)Oxirene-2,3-Diol, 1A,2,3,11B-Tetrahydro-, (1Aalpha,7Alpha,3Beta,11Balpha)-
• Molecular Formula: C₁₈H₁₄O₃
• Molecular Weight: 278.31
• CAS Registry Number: 63493-02-7
• SMILES: [C@H]12O[C@H]1C([C@H](C3=C2C=C5C(=C3)C4=CC=CC=C4C=C5)O)O
• InChI: 1S/C18H14O3/c19-15-13-8-12-10(6-5-9-3-1-2-4-11(9)12)7-14(13)17-18(21-17)16(15)20/h1-8,15-20H/t15-,16?,17+,18-/m0/s1
• InChIKey: HZDVGGXATJSVKB-WOPUZOFWSA-N

Properties

• Density: 1.478g/cm³ (Cal.)
• Boiling point: 567.46°C at 760 mmHg (Cal.)
• Flash point: 296.99°C (Cal.)