3beta-(Sodiosulfooxy)-5alpha-Cholestane-5,6beta-Diol
[CAS# 10157-93-4]

Identification

• Name: 3beta-(Sodiosulfooxy)-5alpha-Cholestane-5,6beta-Diol
• Synonyms: Sodium [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-5,6-Dihydroxy-10,13-Dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Sulfate; 5Alpha-Cholestane-3Beta,5,6Beta-Triol, 3-(Hydrogen Sulfate), Monosodium Salt; 5Alpha-Cholestane-3Beta,5,6Beta-Triol, 3-(Hydrogen Sulfate), Sodium Salt
• Molecular Formula: C₂₇H₄₇NaO₆S
• Molecular Weight: 522.71
• CAS Registry Number: 10157-93-4
• SMILES: [C@H]13[C@@H]([C@@]2([C@@](O)([C@H](O)C1)C[C@@H](O[S]([O-])(=O)=O)CC2)C)CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCCC(C)C)C)C.[Na+]
• InChI: 1S/C27H48O6S.Na/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27(29)16-19(33-34(30,31)32)11-14-26(27,5)23(20)12-13-25(21,22)4;/h17-24,28-29H,6-16H2,1-5H3,(H,30,31,32);/q;+1/p-1/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+;/m1./s1
• InChIKey: OQTUEOGLQOLWTB-BDQHLLSASA-M