Cyclodiol
[CAS# 116229-13-1]

Identification

• Name: Cyclodiol
• Synonyms: 14,21-Cyclo-19-Norpregn-1,3,5(10)-Triene-3,11-Diol; 14,21-Cyclo-19-Norpregna-1,3,5(10)-Triene-3,17-Diol; Cyclodiol
• Molecular Formula: C₂₀H₂₆O₂
• Molecular Weight: 298.42
• CAS Registry Number: 116229-13-1
• SMILES: [C@]34(C5([C@H]2[C@@H](C1=CC=C(O)C=C1CC2)CC3)CCC4(O)CC5)C
• InChI: 1S/C20H26O2/c1-18-7-6-16-15-4-3-14(21)12-13(15)2-5-17(16)19(18)8-10-20(18,22)11-9-19/h3-4,12,16-17,21-22H,2,5-11H2,1H3/t16-,17-,18+,19?,20?/m1/s1
• InChIKey: YGXXZMDWSWSCSI-UYUJGIFYSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 473.417°C at 760 mmHg (Cal.)
• Flash point: 220.481°C (Cal.)