(16a,17b)-16,17-Dihydroxy-Androst-4-en-3-one
[CAS# 63-01-4]

Identification

• Name: (16a,17b)-16,17-Dihydroxy-Androst-4-en-3-one
• Synonyms: 16Alpha,17Beta-Dihydroxy-4-Androsten-3-One; C14600; 16-Hydroxytestosterone
• Molecular Formula: C₁₉H₂₈O₃
• Molecular Weight: 304.43
• CAS Registry Number: 63-01-4
• SMILES: [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](CC1)(C)[C@H]([C@@H](C2)O)O)CCC3=CC(CC4)=O
• InChI: 1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17+,18+,19+/m1/s1
• InChIKey: YMCWOAZGWMZGQT-FPNLOETNSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 454.677°C at 760 mmHg (Cal.)
• Flash point: 242.905°C (Cal.)