(8R,9S,10S,13R,14S,17R)-17-[(2R)-5-Hydroxy-5-Methyl-2-Hexanyl]-10,13-Dimethylhexadecahydro-1H-Cyclopenta[a]Phenanthrene-3,7,12-Triol
[CAS# 2548-05-2]

Identification

• Name: (8R,9S,10S,13R,14S,17R)-17-[(2R)-5-Hydroxy-5-Methyl-2-Hexanyl]-10,13-Dimethylhexadecahydro-1H-Cyclopenta[a]Phenanthrene-3,7,12-Triol
• Synonyms: 24-norcholestane-3,7,12,25-tetrol; 5/2/2548
• Molecular Formula: C₂₆H₄₆O₄
• Molecular Weight: 422.64
• CAS Registry Number: 2548-05-2
• SMILES: CC(C)(O)CC[C@@H](C)[C@H]3CC[C@H]2[C@@H]4C(O)CC1CC(O)CC[C@]1(C)[C@H]4CC(O)[C@@]23C
• InChI: 1S/C26H46O4/c1-15(8-10-24(2,3)30)18-6-7-19-23-20(14-22(29)26(18,19)5)25(4)11-9-17(27)12-16(25)13-21(23)28/h15-23,27-30H,6-14H2,1-5H3/t15-,16?,17?,18-,19+,20+,21?,22?,23+,25+,26-/m1/s1
• InChIKey: IGFJOFSXGKPSBU-DPYZXQFNSA-N

Properties

• Density: 1.11g/cm³ (Cal.)
• Boiling point: 557.686°C at 760 mmHg (Cal.)
• Flash point: 236.164°C (Cal.)
• Refractive index: 1.545 (Cal.)