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C2025 Sigma-Aldrich

Chenodeoxycholic acid diacetate methyl ester

Synonym: 3α,7α-Diacetoxy-5β-cholan-24-oic acid methyl ester

  • CAS Number 2616-71-9

  • Empirical Formula (Hill Notation) C29H46O6

  • Molecular Weight 490.67

  •  MDL number MFCD00021165

  •  PubChem Substance ID 24892460

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Properties

Related Categories Anionic Detergents, Bile Salts, Biochemicals and Reagents, Detergents, Detergents A to M More...
description   anionic
SMILES string   CC(O[C@@H]1CC[C@@]2(C)[C@@](C[C@@H](OC(C)=O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(OC)=O)([H])C1)=O
InChI   1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3/t17-,20+,21-,22-,23+,24+,25-,27+,28+,29-/m1/s1
InChI key   ZKHVKSAMEUAGEN-JSWGAMEVSA-N
Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Hazard statements 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

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