(17b)-17,19-Dihydroxy-Androst-4-en-3-one
[CAS# 2126-37-6]

Identification

• Name: (17b)-17,19-Dihydroxy-Androst-4-en-3-one
• Synonyms: (8R,9S,10S,13S,14S,17S)-17-Hydroxy-13-Methyl-10-Methylol-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; Nsc 77799; Androst-4-En-3-One, 17,19-Dihydroxy-, (17Beta)-
• Molecular Formula: C₁₉H₂₈O₃
• Molecular Weight: 304.43
• CAS Registry Number: 2126-37-6
• SMILES: [C@@]34(CO)[C@@H]1[C@H]([C@H]2[C@@](CC1)(C)[C@H](CC2)O)CCC3=CC(CC4)=O
• InChI: 1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1
• InChIKey: YLTCTXBDDHSLCS-KOUJMVCDSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 486.084°C at 760 mmHg (Cal.)
• Flash point: 261.879°C (Cal.)