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Nordeoxycholic acid

CAT: 0804-HY-N8268-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N8268-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nordeoxycholic acid is a 23-carbon bile acid. Nordeoxycholic acid is a norcholic acid metabolite and a steroid human metabolite[1].
CAS Number
53608-86-9
Product Name Alternative
3α,12α-Dihydroxynorcholanic acid
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/nordeoxycholic-acid.html
Purity
99.90
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C[C@@]1([C@@]2([H])[C@H](C)CC(O)=O)[C@](CC2)([H])[C@@](CC[C@@](C3)([H])[C@@]4(CC[C@H]3O)C)([H])[C@]4([H])C[C@@H]1O
Molecular Formula
C23H38O4
Molecular Weight
378.55
Precautions
H302, H315, H319, H335
References & Citations
[1]Nakatomi F, et al. Intestinal absorption and metabolism of norcholic acid in rats. J Pharmacobiodyn. 1985 Jul;8 (7) :557-63.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

23-Nordeoxycholic acid

23-nordeoxycholic acid is a cholanoid.

CAS Number53608-86-9
PubChem CID193905
IUPAC Name(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
Molecular FormulaC23H38O4
Molecular Weight378.5
XLogP4.6
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity591
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
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
InChIKey
PLRQOCVIINWCFA-AHFDLSHQSA-N
Chemical Structure
2D Structure
2D structure of 23-Nordeoxycholic acid
CAS: 53608-86-9
CID: 193905
Formula: C23H38O4
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass378.27700969
Monoisotopic Mass378.27700969
Topological Polar Surface Area77.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity591
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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