(3alpha,7beta,8xi,9xi,11alpha,14xi)-3,7,11-Trihydroxyandrost-5-En-17-One
[CAS# 537718-07-3]

Identification

• Name: (3alpha,7beta,8xi,9xi,11alpha,14xi)-3,7,11-Trihydroxyandrost-5-En-17-One
• Molecular Formula: C₁₉H₂₈O₄
• Molecular Weight: 320.42
• CAS Registry Number: 537718-07-3
• SMILES: O=C3[C@]2(C[C@@H](O)C1[C@@]4(C(=C/[C@H](O)C1C2CC3)\C[C@H](O)CC4)C)C
• InChI: 1S/C19H28O4/c1-18-6-5-11(20)7-10(18)8-13(21)16-12-3-4-15(23)19(12,2)9-14(22)17(16)18/h8,11-14,16-17,20-22H,3-7,9H2,1-2H3/t11-,12?,13+,14-,16?,17?,18+,19+/m1/s1
• InChIKey: CQUBIKORFIDREA-PQHUAYJBSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 517.456°C at 760 mmHg (Cal.)
• Flash point: 280.831°C (Cal.)
• Refractive index: 1.596 (Cal.)