(22S,25S)-Cholest-5-Ene-3beta,22,26-Triol
[CAS# 50982-38-2]

Identification

• Name: (22S,25S)-Cholest-5-Ene-3beta,22,26-Triol
• Synonyms: (2S,5S,6S)-6-[(3S,8S,9S,10R,13S,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Heptane-1,5-Diol; Dormatinol; Lmst01010101
• Molecular Formula: C₂₇H₄₆O₃
• Molecular Weight: 418.66
• CAS Registry Number: 50982-38-2
• SMILES: [C@]24([C@H]([C@@H]1CC=C3[C@@]([C@H]1CC2)(CC[C@H](O)C3)C)CC[C@@H]4[C@@H]([C@H](CC[C@@H](CO)C)O)C)C
• InChI: 1S/C27H46O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-30H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
• InChIKey: YDFJGPFMKWECQA-BXTYSGRPSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 572.442°C at 760 mmHg (Cal.)
• Flash point: 242.739°C (Cal.)