Cholanthrene-9,10-Diol-7,8-Epoxide
[CAS# 119181-09-8]

Identification

• Name: Cholanthrene-9,10-Diol-7,8-Epoxide
• Synonyms: Indeno(7',1':6,7,8)Phenanthro(3,4-B)Oxirene-2,3-Diol, 1A,2,3,6,7,11C-Hexahydro-, (1Aalpha,2Beta,3Alpha,11Calpha)- (+-)-
• Molecular Formula: C₂₀H₁₆O₃
• Molecular Weight: 304.34
• CAS Registry Number: 119181-09-8
• SMILES: [C@@H]4(C3=CC=C2C6=C1C(=CC=CC1=CC2=C3[C@H]5[C@@H]([C@@H]4O)O5)CC6)O
• InChI: 1S/C20H16O3/c21-17-13-7-6-11-12-5-4-9-2-1-3-10(15(9)12)8-14(11)16(13)19-20(23-19)18(17)22/h1-3,6-8,17-22H,4-5H2/t17-,18+,19-,20+/m0/s1
• InChIKey: BQXVUFNOKKHIKA-ZGXWSNOMSA-N

Properties

• Density: 1.525g/cm³ (Cal.)
• Boiling point: 622.49°C at 760 mmHg (Cal.)
• Flash point: 330.27°C (Cal.)