3alpha,17,21-Trihydroxy-5alpha-pregnan-20-one
[CAS# 601-01-4]

Identification

• Name: 3alpha,17,21-Trihydroxy-5alpha-pregnan-20-one
• Synonyms: 1-[(3R,5S,8R,9S,10S,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Hydroxy-Ethanone; 5Alpha-Pregnan-20-One, 3Alpha,17,21-Trihydroxy-
• Molecular Formula: C₂₁H₃₄O₄
• Molecular Weight: 350.50
• CAS Registry Number: 601-01-4
• EINECS: 209-998-4
• SMILES: [C@]14([C@@](C(=O)CO)(CC[C@H]1[C@H]2[C@@H]([C@@]3([C@@H](CC2)C[C@@H](CC3)O)C)CC4)O)C
• InChI: 1S/C21H34O4/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/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14+,15+,16-,17-,19-,20-,21-/m0/s1
• InChIKey: UPTAPIKFKZGAGM-RBBWHVFISA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 505.146°C at 760 mmHg (Cal.)
• Flash point: 273.394°C (Cal.)