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Nor Cholic Acid

CAT: 0572-TRC-N661440-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N661440-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60696-62-0
Synonyms
24-Norcholan-23-oic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-; 23-Nor-5β-cholanic acid, 3α,7α,12α-trihydroxy- (6CI); (3α,5β,7α,12α)-3,7,12-Trihydroxy-24-norcholan-23-oic acid; 23-Norcholic acid; 24-Norcholic acid; 3α,7α,12α-Trihydroxy-24-nor-5β-cholan-23-oic acid; Norcholic acid
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Molecular Formula
C23 H38 O5
Molecular Weight
394.54
InChI
InChI=1S/C23H38O5/c1-12(8-20(27)28)15-4-5-16-21-17(11-19(26)23(15,16)3)22(2)7-6-14(24)9-13(22)10-18(21)25/h12-19,21,24-26H,4-11H2,1-3H3,(H,27,28)/t12-,13+,14-,15-,16+,17+,18-,19+,21+,22+,23-/m1/s1
Additionnal Information
IUPAC name: (3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Norcholic acid

Norcholic acid is a bile acid.

CAS Number60696-62-0
PubChem CID158738
IUPAC Name(3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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 FormulaC23H38O5
Molecular Weight394.5
XLogP3.2
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity622
SMILES
C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI
InChI=1S/C23H38O5/c1-12(8-20(27)28)15-4-5-16-21-17(11-19(26)23(15,16)3)22(2)7-6-14(24)9-13(22)10-18(21)25/h12-19,21,24-26H,4-11H2,1-3H3,(H,27,28)/t12-,13+,14-,15-,16+,17+,18-,19+,21+,22+,23-/m1/s1
InChIKey
SHUYNJFEXPRUGR-RTCCEZQESA-N
Chemical Structure
2D Structure
2D structure of Norcholic acid
CAS: 60696-62-0
CID: 158738
Formula: C23H38O5
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass394.27192431
Monoisotopic Mass394.27192431
Topological Polar Surface Area98 Ų
Heavy Atom Count28
Formal Charge0
Complexity622
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
N1680-5.1Cholic acid

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