(3beta,17beta)-Estra-5,7,9-Triene-3,17-Diol
[CAS# 517-07-7]

Identification

• Name: (3beta,17beta)-Estra-5,7,9-Triene-3,17-Diol
• Molecular Formula: C₁₈H₂₄O₂
• Molecular Weight: 272.38
• CAS Registry Number: 517-07-7
• SMILES: O[C@@H]3Cc4ccc1c(CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4CC3
• 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/h2,4,12,16-17,19-20H,3,5-10H2,1H3/t12-,16-,17-,18-/m0/s1
• InChIKey: FHUJXHJKJMSASV-JUKXBJQTSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 446.403°C at 760 mmHg (Cal.)
• Flash point: 209.902°C (Cal.)