5-Androstene-17beta-carboxylic acid
[CAS# 438-10-8]

Identification

• Name: 5-Androstene-17beta-carboxylic acid
• Synonyms: 5-Androstene-17Beta-Carboxylic Acid; 5-Etienic Acid; Androst-5-Ene-17-Carboxylic Acid, (17Beta)-
• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.46
• CAS Registry Number: 438-10-8
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2(C(=CC1)CCCC2)C)CC3)CC[C@@H]4C(=O)O)C
• InChI: 1S/C20H30O2/c1-19-11-4-3-5-13(19)6-7-14-15-8-9-17(18(21)22)20(15,2)12-10-16(14)19/h6,14-17H,3-5,7-12H2,1-2H3,(H,21,22)/t14-,15-,16-,17+,19-,20-/m0/s1
• InChIKey: GHJGFBLULGDFKQ-UDCWSGSHSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 435.869°C at 760 mmHg (Cal.)
• Flash point: 206.082°C (Cal.)