5beta-Cholestane-3alpha,7alpha,26,27-tetrol
[CAS# 107088-80-2]

Identification

• Name: 5beta-Cholestane-3alpha,7alpha,26,27-tetrol
• Synonyms: (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-6-Hydroxy-5-(Hydroxymethyl)-1-Methyl-Hexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-6-Hydroxy-5-(Hydroxymethyl)-1-Methylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-6-Hydroxy-1-Methyl-5-Methylol-Hexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol
• Molecular Formula: C₂₇H₄₈O₄
• Molecular Weight: 436.67
• CAS Registry Number: 107088-80-2
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)C[C@H]([C@H]4[C@@H]2CC[C@H]([C@@H](CCCC(CO)CO)C)[C@@]2(C)CC[C@H]34)O)C)O
• InChI: 1S/C27H48O4/c1-17(5-4-6-18(15-28)16-29)21-7-8-22-25-23(10-12-27(21,22)3)26(2)11-9-20(30)13-19(26)14-24(25)31/h17-25,28-31H,4-16H2,1-3H3/t17-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
• InChIKey: KWZLHGRUZVXWLT-CFHOJGGSSA-N

Properties

• Density: 1.097g/cm³ (Cal.)
• Boiling point: 592.339°C at 760 mmHg (Cal.)
• Flash point: 250.341°C (Cal.)