11,20-Dihydroxy-4-Pregnene-3-One-21-Oic Acid
[CAS# 27149-68-4]

Identification

• Name: 11,20-Dihydroxy-4-Pregnene-3-One-21-Oic Acid
• Synonyms: (2S)-2-Hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Acetic Acid; (2S)-2-Hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Ethanoic Acid; 11,20-Dihydroxy-4-Pregnene-3-One-21-Oic Acid
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.47
• CAS Registry Number: 27149-68-4
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@H](CC4)[C@H](O)C(=O)O)C
• InChI: 1S/C21H30O5/c1-20-8-7-12(22)9-11(20)3-4-13-14-5-6-15(18(24)19(25)26)21(14,2)10-16(23)17(13)20/h9,13-18,23-24H,3-8,10H2,1-2H3,(H,25,26)/t13-,14-,15+,16-,17+,18-,20-,21-/m0/s1
• InChIKey: NCZRCNAAHNGILW-CPZQJQDXSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 579.715°C at 760 mmHg (Cal.)
• Flash point: 318.442°C (Cal.)