7alpha,12alpha-Dihydroxy-3-Oxopregna-1,4-Diene-20-Carboxylic Acid
[CAS# 70643-61-7]

Identification

• Name: 7alpha,12alpha-Dihydroxy-3-Oxopregna-1,4-Diene-20-Carboxylic Acid
• Synonyms: 2-[(7R,8R,9S,10R,12S,13S,14S,17R)-7,12-Dihydroxy-3-Keto-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Propionic Acid; (7Alpha,12Alpha)-7,12-Dihydroxy-3-Oxopregna-1,4-Diene-20-Carboxylic Acid; 7Alpha,12Alpha-Dihydroxy-3-Oxopregna-1,4-Diene-20-Carboxylic Acid
• Molecular Formula: C₂₂H₃₀O₅
• Molecular Weight: 374.48
• CAS Registry Number: 70643-61-7
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)C[C@H]2O)C)C[C@H](O)[C@@]3([C@H](CC4)C(C(=O)O)C)C
• InChI: 1S/C22H30O5/c1-11(20(26)27)14-4-5-15-19-16(10-18(25)22(14,15)3)21(2)7-6-13(23)8-12(21)9-17(19)24/h6-8,11,14-19,24-25H,4-5,9-10H2,1-3H3,(H,26,27)/t11?,14-,15+,16+,17-,18+,19+,21+,22-/m1/s1
• InChIKey: RIPUUOOMDLZCBV-BQUBXLDDSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 591.871°C at 760 mmHg (Cal.)
• Flash point: 325.786°C (Cal.)