(17beta)-Estra-1(10),2,4-Triene-3,17-Diol
[CAS 3736-22-9]

Identification

• Name: (17beta)-Estra-1(10),2,4-Triene-3,17-Diol
• Synonyms: (17β)-​estra-​1,​3,​5(10)-​triene-​3,​17-​diol; (17β)-Estra-1(10),2,4-trien-3,17-diol; (17β)-Estra-1(10),2,4-triène-3,17-diol
• Molecular Formula: C₁₈H₂₄O₂
• Molecular Weight: 272.38
• CAS Registry Number: 3736-22-9
• SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
• InChI: 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
• InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 176°C (Expl.)
• Boiling point: 445.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 209.6±23.3°C (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 75 mM in ethanol

Safety Data

• Safety Description: Safety glasses.

References

• (1): D. A. Parrish and A. A. Pinkerton. Estradiol methanol hemisolvate, Acta Cryst. (1999). C55, IUC9900100