Estrane-3,17-Diol
[CAS# 517-01-1]

Identification

• Name: Estrane-3,17-Diol
• Synonyms: Estrane-3,17-Diol; Estrane-3,17-Diol, (3Alpha,17Alpha)-
• Molecular Formula: C₁₈H₃₀O₂
• Molecular Weight: 278.43
• CAS Registry Number: 517-01-1
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@H]2C(CC1)C[C@@H](CC2)O)CC3)CC[C@H]4O)C
• InChI: 1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3/t11?,12-,13+,14-,15-,16+,17-,18+/m1/s1
• InChIKey: QNKATSBSLLYTMH-BVVZXGIMSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 409.97°C at 760 mmHg (Cal.)
• Flash point: 186.573°C (Cal.)