(3R,5R,8R,9S,10S,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-17-Carboxylic Acid
[CAS# 38775-99-4]

Identification

• Name: (3R,5R,8R,9S,10S,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-17-Carboxylic Acid
• Synonyms: 3-Hydroxyetianic Acid; 3Alpha-Hydroxy-5Beta-Androstan-17Beta-Carboxylic Acid; 3Alpha-Hydroxy-5Beta-Etianic Acid
• Molecular Formula: C₂₀H₃₂O₃
• Molecular Weight: 320.47
• CAS Registry Number: 38775-99-4
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)CC[C@H]4[C@@H]2CC[C@@H]([C@@]2(C)CC[C@H]34)C(=O)O)C)O
• InChI: 1S/C20H32O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h12-17,21H,3-11H2,1-2H3,(H,22,23)/t12-,13-,14+,15+,16+,17-,19+,20+/m1/s1
• InChIKey: KAYYIYDHRSEWHR-VBBBUPHZSA-N

Properties

• Density: 1.131g/cm³ (Cal.)
• Boiling point: 464.55°C at 760 mmHg (Cal.)
• Flash point: 248.87°C (Cal.)