(3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-(1-Hydroxyethyl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthrene-3,11,17-Triol
[CAS# 1242-48-4]

Identification

• Name: (3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-(1-Hydroxyethyl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthrene-3,11,17-Triol
• Synonyms: 5Beta-Pregnane-3Alpha,11Beta,17,20Alpha-Tetrol; Pregnane-3,11,17,20-Tetrol, (3Alpha,5Beta,11Beta,20S)-
• Molecular Formula: C₂₁H₃₆O₄
• Molecular Weight: 352.51
• CAS Registry Number: 1242-48-4
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)CC[C@H]4[C@@H]2CC[C@]([C@H](C)O)([C@@]2(C)C[C@@H]([C@H]34)O)O)C)O
• InChI: 1S/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,17-,18+,19-,20-,21-/m0/s1
• InChIKey: CQRHDJNAPDZBCN-ZCXVUIRUSA-N

Properties

• Density: 1.188g/cm³ (Cal.)
• Boiling point: 508.655°C at 760 mmHg (Cal.)
• Flash point: 227.472°C (Cal.)