17,20,21-Trihydroxypregn-4-En-3-One
[CAS# 128-19-8]

Identification

• Name: 17,20,21-Trihydroxypregn-4-En-3-One
• Synonyms: 14-(1,2-dihydroxyethyl)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one; 17,20,21-Trihydroxypregn-4-en-3-one; 17,20,21-Trihydroxypregn-4-en-3-one #
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 128-19-8
• SMILES: O=C4\C=C3/C(C2CCC1(C(CCC1(O)C(O)CO)C2CC3)C)(C)CC4
• 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
• InChIKey: XNFSGLNHLVHCFT-UHFFFAOYSA-N

Properties

• Density: 1.225g/cm³ (Cal.)
• Boiling point: 544.424°C at 760 mmHg (Cal.)
• Flash point: 297.122°C (Cal.)
• Refractive index: 1.586 (Cal.)