(8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-Dihydroxyethyl]-17-Hydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 3946-10-9]

Identification

• Name: (8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-Dihydroxyethyl]-17-Hydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (20S)-17,20,21-Trihydroxypregn-4-En-3-One
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 3946-10-9
• EINECS: 223-536-9
• SMILES: [C@@]4(O)([C@@]3([C@H]([C@H]2[C@@H]([C@]1(CCC(=O)C=C1CC2)C)CC3)CC4)C)[C@@H](O)CO
• InChI: 1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1
• InChIKey: XNFSGLNHLVHCFT-MQWPULPWSA-N

Properties

• Density: 1.225g/cm³ (Cal.)
• Boiling point: 544.424°C at 760 mmHg (Cal.)
• Flash point: 297.122°C (Cal.)