(3R,5S,7R,8R,9S,10S,12S,13R,14S,17S)-17-[(2R)-5,6-Dihydroxyheptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,7,12-Triol
[CAS# 78648-95-0]

Identification

• Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17S)-17-[(2R)-5,6-Dihydroxyheptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,7,12-Triol
• Synonyms: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17S)-17-[(1R)-4,5-Dihydroxy-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-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17S)-17-[(1R)-4,5-Dihydroxy-1-Methylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; 26(Or 27)-Norcholestane-3,7,12,24,25-Pentol
• Molecular Formula: C₂₆H₄₆O₅
• Molecular Weight: 438.65
• CAS Registry Number: 78648-95-0
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)C[C@H]([C@H]4[C@@H]2CC[C@@H]([C@@H](CCC(C(C)O)O)C)[C@@]2(C)[C@H](C[C@H]34)O)O)C)O
• InChI: 1S/C26H46O5/c1-14(5-8-21(29)15(2)27)18-6-7-19-24-20(13-23(31)26(18,19)4)25(3)10-9-17(28)11-16(25)12-22(24)30/h14-24,27-31H,5-13H2,1-4H3/t14-,15?,16+,17-,18+,19+,20+,21?,22-,23+,24+,25+,26-/m1/s1
• InChIKey: UBCPEZWGUOSYHO-IHANRQHISA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 605.316°C at 760 mmHg (Cal.)
• Flash point: 258.766°C (Cal.)