(8R,9S,10R,13S,14S,17R)-6,17-Dihydroxy-17-(1-Hydroxyethyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 105248-42-8]

Identification

• Name: (8R,9S,10R,13S,14S,17R)-6,17-Dihydroxy-17-(1-Hydroxyethyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: 6,17,20-Trihydroxypregn-4-Ene-3-One; 6,17-20-Thpo; 6Beta,17,20Alpha-Trihydroxypregn-4-Ene-3-One
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 105248-42-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)C(O)C2)C)CC[C@@]3([C@](O)(CC4)C(O)C)C
• InChI: 1S/C21H32O4/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/h10,12,14-16,18,22,24-25H,4-9,11H2,1-3H3/t12?,14-,15+,16+,18?,19-,20+,21+/m1/s1
• InChIKey: IOYKCORNMBALAV-INEPUAKGSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 531.16°C at 760 mmHg (Cal.)
• Flash point: 289.109°C (Cal.)