chempirical

23-Nordeoxycholic acid

C23H38O4CAS 53608-86-9378.55 g/mol

Open in Covalent MOL file
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AlcoholCarboxylic acid

Properties

Molecular formula
C23H38O4
Molar mass
378.55 g/mol
Exact mass
378.2770 Da
logP
4.09Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
R, R, S, R, S, S, R, R, S, Rin SMILES atom order

Identifiers

CAS number
53608-86-9
SMILES
C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChIKey
PLRQOCVIINWCFA-AHFDLSHQSA-N
InChI
InChI=1S/C23H38O4/c1-13(10-21(26)27)17-6-7-18-16-5-4-14-11-15(24)8-9-22(14,2)19(16)12-20(25)23(17,18)3/h13-20,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17-,18+,19+,20+,22+,23-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • (3R)-3-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
  • 23-Nor-deoxycholic acid
  • 24-Norcholan-23-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-
  • 23-Nor-5 beta-cholanic acid, 3 alpha, 12 alpha diol
  • Nor-desoxycholic acid
  • Nordeoxycholic acid
  • 23-Nor-DCA
  • (3Alpha,5beta,12alpha)-3,12-Dihydroxy-24-norcholan-23-oic Acid
  • 24-Nor-3alpha,12alpha-dihydroxy-5beta-cholan-23-oic acid
  • 3,12-Dihydroxy-nor-cholanic Acid
  • 23-Nor-5beta-cholanic acid, 3alpha, 12alpha diol
  • 3,12-Dihydroxy-norcholanic acid

Work with 23-Nordeoxycholic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Deoxycholic acid83-44-384 % similar Glycodeoxycholic acid360-65-673 % similar Sodium deoxycholate302-95-467 % similar Cholic acid81-25-465 % similar Lithocholic acid434-13-964 % similar Sodium glycodeoxycholate16409-34-060 % similar Glycocholic acid475-31-058 % similar Sodium taurodeoxycholate1180-95-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Arachidonoylglycerol53847-30-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook