ChemicalBook > CAS DataBase List > 5BETA-CHOLANIC ACID

5BETA-CHOLANIC ACID

Product Name: 5BETA-CHOLANIC ACID
CAS No.: 546-18-9
Chemical Name: 5BETA-CHOLANIC ACID
Synonyms: 3-Oxo-5βCholanoic Acid;5β-cholanicaci;5β-Cholanic acid;URSOCHOLANIC ACID;5(H)-Cholanic acid;3,12-Diketo-5β5BETA-CHOLANIC ACID;5-beta-cholan-24-oic acid;Cholan-24-oic acid, (5β)-
CBNumber: CB7477878
Molecular Formula: C24H40O2
Formula Weight: 360.57
MOL File: 546-18-9.mol

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5BETA-CHOLANIC ACID Property

Melting point:: 150 °C
Boiling point:: 473.6±13.0 °C(Predicted)
Density: 1.018±0.06 g/cm3(Predicted)
storage temp.: Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
form: Solid
pka: 4.76±0.10(Predicted)
color: White to Off-White
InChIKey: RPKLZQLYODPWTM-ZPEDRQGKNA-N
SMILES: [C@]12(C)CC[C@]3([H])[C@@]4(C)CCCC[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@@H]2[C@H](C)CCC(=O)O |&1:0,4,6,12,16,18,22,23,r|

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Safety

WGK Germany: 3

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: C7628
Product name: 5β-Cholanic acid
Purity: ≥99% (TLC)
Packaging: 1g
Price: $325
Updated: 2023/06/20

Sigma-Aldrich

Product number: C7628
Product name: 5β-Cholanic acid
Purity: ≥99% (TLC)
Packaging: 5g
Price: $1370
Updated: 2023/06/20

TRC

Product number: C431430
Product name: CholanoicAcid
Packaging: 10mg
Price: $95
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FC71630
Product name: 5beta-Cholanic acid
Packaging: 50mg
Price: $65
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FC71630
Product name: 5beta-Cholanic acid
Packaging: 100mg
Price: $100
Updated: 2021/12/16

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5BETA-CHOLANIC ACID Chemical Properties,Usage,Production

Uses

Cholanoic Acid is an impurity of Ursodeoxycholic Acid (U850000), which is used as an anticholelithogenic.

Definition

ChEBI: 5beta-cholanic acid is a cholanic acid and a member of 5beta-cholanic acids.

Purification Methods

Crystallise 5-cholanic acid from EtOH, Me2CO or AcOH. The ethyl ester has m 93-94o (from 80% EtOH), b 273o/12mm, [] D 20 +21o (CHCl3), and the methyl ester has m 86-87o (from MeOH) after purification through Al2O3 and eluting with *C6H6, and [] D 20 +21.2o (CHCl3). The 1H NMR (CDCl3) for the C18 & C19 protons has at 0.65 and 0.92ppm [see 5-cholanic acid above, Mandava et al. Steroids 23 357 1974]. [Stoll et al. Helv Chim Acta 18 644 1935, Huang-Minlon J Am Chem Soc 7 1 330 1949, Beilstein 9 III 2656, 9 IV 1992.]

5BETA-CHOLANIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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546-18-9, 5BETA-CHOLANIC ACIDRelated Search:

METHYL DESOXYCHOLATE SODIUM CHOLATE HYDRATE, BIOCHEMIKA, >= 9 CHOLIC ACID METHYL ESTER HYOCHOLIC ACID Sodium cholate Sodium deoxycholate 5BETA-CHOLANIC ACID-3ALPHA-OL 5BETA-CHOLANIC ACID-3ALPHA,7BETA-DIOL HYODEOXYCHOLIC ACID METHYL ESTER Hyodeoxycholic acid Glycochenodeoxycholic acid sodium salt 5-BETA-CHOLANIC ACID-3-ALPHA-OL N-(2-SULPHOETHYL)-AMIDE SODIUM SALT,5BETA-CHOLANIC ACID-3ALPHA-OL 24-N-(2-SULFOETHYL)AMIDE SODIUM 5BETA-CHOLANIC ACID-3ALPHA,7BETA-DIOL SODIUM SALT 3ALPHA,7ALPHA-DIACETOXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER SODIUMLITHOCHOLATE 3-Oxo-5beta-cholanoic Acid 5-BETA-CHOLANIC ACID-7-ALPHA, 12-ALPHA-DIOL 5BETA-CHOLANIC ACID-3ALPHA-OL 3-ACETATE,5-BETA-CHOLANIC ACID-3-ALPHA-OL ACETATE

URSOCHOLANIC ACID

5BETA-CHOLANIC ACID

5B-cholanic acid crystalline

3,12-Diketo-5&beta

5-beta-cholan-24-oic acid

(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid

5β-Cholanic acid,Ursocholanic acid

Cholanoic Acid

3-Oxo-5&beta

5(H)-Cholanic acid

Cholan-24-oic acid, (5β)-

(R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

5β-Cholanic acid

5β-cholanicaci

5beta-Cholanic acid >=99% (TLC)

Cholan-24-oic acid, (5b)-

546-18-9

C24H40O2