(8S,9S,10R,11S,13S,14S)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-17-Carboxylic Acid
[CAS# 3597-45-3]

Identification

• Name: (8S,9S,10R,11S,13S,14S)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-17-Carboxylic Acid
• Synonyms: (8S,9S,10R,11S,13S,14S)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17-Carboxylic Acid; Cortienic Acid; Androst-4-En-17-Carboxylic Acid, 11,17-Dihydroxy-3-3-Oxo,(11Beta,17Alpha)
• Molecular Formula: C₂₀H₂₈O₅
• Molecular Weight: 348.44
• CAS Registry Number: 3597-45-3
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3(C(O)(CC4)C(=O)O)C
• InChI: 1S/C20H28O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h9,13-16,22,25H,3-8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16+,18-,19-,20?/m0/s1
• InChIKey: XNZSRYSTBKQWGZ-HJSFSJJBSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 565.912°C at 760 mmHg (Cal.)
• Flash point: 310.103°C (Cal.)