6beta,17alpha-Dihydroxyprogesterone
[CAS# 604-03-5]

Identification

• Name: 6beta,17alpha-Dihydroxyprogesterone
• Synonyms: (6R,8R,9S,10R,13S,14S,17R)-17-Ethanoyl-6,17-Dihydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; 6.Beta.,17.Alpha.-Dihydroxyprogesterone; Nsc9729
• Molecular Formula: C₂₁H₃₀O₄
• Molecular Weight: 346.47
• CAS Registry Number: 604-03-5
• SMILES: [C@@]4([C@]3(CC[C@H]1[C@@H](C[C@H](C2=CC(=O)CC[C@]12C)O)[C@@H]3CC4)C)(C(C)=O)O
• InChI: 1S/C21H30O4/c1-12(22)21(25)9-6-16-14-11-18(24)17-10-13(23)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,14-16,18,24-25H,4-9,11H2,1-3H3/t14-,15+,16+,18-,19-,20+,21+/m1/s1
• InChIKey: BDQPONLPDKZVNG-SJIZYOMUSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 527.38°C at 760 mmHg (Cal.)
• Flash point: 286.826°C (Cal.)