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Sodium deoxycholate monohydrate

SIGMA/30968 - BioUltra, ≥99.0% (NT)

Synonym: 3α,12α-Dihydroxy-5β-cholanic acid sodium salt; 7-Deoxycholic acid sodium salt; Desoxycholic acid sodium salt

CAS Number: 145224-92-6
Empirical Formula (Hill Notation): C24H39NaO4 · H2O
Molecular Weight: 432.57
EC Number: 206-132-7
MDL Number: MFCD00150750
Linear Formula: C24H39NaO4 · H2O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-30968-25G 25 g
 $1140.00
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λ 0.1 M in H2O
aggregation number 3-12
anion traces chloride (Cl-): ≤50 mg/kg
  sulfate (SO42-): ≤200 mg/kg
assay ≥99.0% (NT)
cation traces Al: ≤20 mg/kg
  Ba: ≤5 mg/kg
  Bi: ≤5 mg/kg
  Cd: ≤5 mg/kg
  Co: ≤5 mg/kg
  Cr: ≤5 mg/kg
  Cu: ≤5 mg/kg
  Fe: ≤5 mg/kg
  Li: ≤5 mg/kg
  Mg: ≤20 mg/kg
  Mn: ≤5 mg/kg
  Mo: ≤5 mg/kg
  Ni: ≤5 mg/kg
  Pb: ≤5 mg/kg
  Sr: ≤20 mg/kg
  Zn: ≤5 mg/kg
CMC 2-6
description anionic
form powder
HLB 16
impurities insoluble matter, passes filter test
  ≤0.5% cholic acid (TLC)
  ≤6.1% water
InChI 1S/C24H40O4.Na.H2O/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);;1H2/q;+1;/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;;/m1../s1
InChI key NDVHNZISGVSFMP-WTCAICSISA-M
mol wt average mol wt 1200-5000
optical activity [α]20/D +44±2°, c = 2% in H2O
pH 7.5-9.5 (25 °C, 0.1 M in H2O)
product line BioUltra
Quality Level 300 
SMILES string O.[Na+].C[C@H](CCC([O-])=O)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
solubility H2O: 0.1 M at 20 °C, clear, colorless
UV absorption λ: 260 nm Amax: 0.10
  λ: 280 nm Amax: 0.08
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