Cholestane-3,7,12,26,27-Pentol
[CAS# 2952-70-7]

Identification

• Name: Cholestane-3,7,12,26,27-Pentol
• Synonyms: (3R,5R,7R,8R,9S,10S,12S,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-3,7,12-Triol; (3R,5R,7R,8R,9S,10S,12S,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-3,7,12-Triol; (3R,5R,7R,8R,9S,10S,12S,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-3,7,12-Triol
• Molecular Formula: C₂₇H₄₈O₅
• Molecular Weight: 452.67
• CAS Registry Number: 2952-70-7
• 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)[C@H](C[C@H]34)O)O)C)O
• InChI: 1S/C27H48O5/c1-16(5-4-6-17(14-28)15-29)20-7-8-21-25-22(13-24(32)27(20,21)3)26(2)10-9-19(30)11-18(26)12-23(25)31/h16-25,28-32H,4-15H2,1-3H3/t16-,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: JNMALBXXJSWZQY-BBBUMGABSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 626.267°C at 760 mmHg (Cal.)
• Flash point: 265.767°C (Cal.)