17-Hydroxypregnenedione
[CAS# 641-80-5]

Identification

• Name: 17-Hydroxypregnenedione
• Synonyms: (8R,9S,10R,13S,14S,17R)-17-Ethanoyl-17-Hydroxy-10,13-Dimethyl-2,4,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; 17-Hydroxypregnenedione; 17Alpha-Hydroxypregn-5-Ene-3,20-Dione
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 641-80-5
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)CC(=O)CC2)C)CC[C@@]3([C@](O)(CC4)C(=O)C)C
• InChI: 1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,16-18,24H,5-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
• InChIKey: RCFJDVCRANOZEL-CEGNMAFCSA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Boiling point: 475.623°C at 760 mmHg (Cal.)
• Flash point: 255.559°C (Cal.)