Cholesterol-Cholestanol-Water Adduct
[CAS# 75056-43-8]

Identification

• Name: Cholesterol-Cholestanol-Water Adduct
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; Dihydrate; C-C-2W; Cholest-5-En-3-Ol (3Beta)-, Monohydrate, Compd. With (3Beta,5Alpha)-Cholestan-3-Ol Monohydrate
• Molecular Formula: C₅₄H₉₈O₄
• Molecular Weight: 811.37
• CAS Registry Number: 75056-43-8
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]4([C@@H](CC3)C[C@@H](O)CC4)C)C.[C@H]78[C@H]5[C@@H]([C@@]6(C(=CC5)C[C@@H](O)CC6)C)CC[C@@]7([C@H](CC8)[C@@H](CCCC(C)C)C)C.O.O
• InChI: 1S/C27H48O.C27H46O.2H2O/c2*1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;;/h18-25,28H,6-17H2,1-5H3;9,18-19,21-25,28H,6-8,10-17H2,1-5H3;2*1H2/t19-,20+,21+,22+,23-,24+,25+,26+,27-;19-,21+,22+,23-,24+,25+,26+,27-;;/m11../s1
• InChIKey: FTBUTXOSWLQPAO-BQXDPFJFSA-N

Properties

• Boiling point: 455.5°C at 760 mmHg (Cal.)
• Flash point: 190.7°C (Cal.)