lithocholic acid (CAS 434-13-9) — formula C24H40O3, molecular weight 376.6; category organic chemicals.
| CAS Number | 434-13-9 |
|---|---|
| Molecular Formula | C24H40O3 |
| Molecular Weight | 376.6 |
| Melting Point | 363 to 367 °F (NTP, 1992) |
| LogP | 6.3 |
| Applications | Uses: BIOCHEMICAL RESEARCH, Methods of Manufacturing: EXTRACTION FROM OX BILE (IN SALT FORM), FROM DEOXYCHOLIC ACID OR CHOLIC ACID, FROM CHOLIC OR DESOXYCHOLIC ACID., U.S. Production: (1977) NOT PRODUCED COMMERCIALLY IN US, (1979) NOT PRODUCED COMMERCIALLY IN US, General Manufacturing Information: ...CHOLIC ACIDS REPRESENTED IN BILE...CHOLIC, DESOXYCHOLIC, & LITHOCHOLIC. ... FREE BILE ACIDS...COMBINE WITH FATTY ACIDS IN VARYING PROP...BY MEANS OF SECONDARY VALENCE FORCES TO FORM CHOLEIC ACIDS. LATTER ARE RESPONSIBLE FOR EMULSIFYING, DISPERSING, &...PROMOTING ABSORPTION OF FATS, CHOLESTEROL, & OIL-SOL VITAMINS., FOUND IN OX BILE, HUMAN BILE, RABBIT BILE, & IN OX & PIG GALLSTONES. |
| Category | Organic Chemicals |
Documented applications: Uses: BIOCHEMICAL RESEARCH, Methods of Manufacturing: EXTRACTION FROM OX BILE (IN SALT FORM), FROM DEOXYCHOLIC ACID OR CHOLIC ACID, FROM CHOLIC OR DESOXYCHOLIC ACID., U.S. Production: (1977) NOT PRODUCED COMMERCIALLY IN US, (1979) NOT PRODUCED COMMERCIALLY IN US, General Manufacturing Information: ...CHOLIC ACIDS REPRESENTED IN BILE...CHOLIC, DESOXYCHOLIC, & LITHOCHOLIC. ... FREE BILE ACIDS...COMBINE WITH FATTY ACIDS IN VARYING PROP...BY MEANS OF SECONDARY VALENCE FORCES TO FORM CHOLEIC ACIDS. LATTER ARE RESPONSIBLE FOR EMULSIFYING, DISPERSING, &...PROMOTING ABSORPTION OF FATS, CHOLESTEROL, & OIL-SOL VITAMINS., FOUND IN OX BILE, HUMAN BILE, RABBIT BILE, & IN OX & PIG GALLSTONES..
lithocholic acid is a carbon-based organic compound with CAS registry number 434-13-9 and molecular formula C24H40O3 (molecular weight 376.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 434-13-9
Its molecular formula C24H40O3 comprises 24 C, 40 H, 3 O atoms.
Also known as: lithocholic acid · 石胆酸
Category: organic chemicals
The CAS registry number of lithocholic acid is 434-13-9.
Molecular formula C24H40O3, molecular weight 376.6.
It is also registered under: lithocholic acid, 石胆酸.
Recorded applications: Uses: BIOCHEMICAL RESEARCH, Methods of Manufacturing: EXTRACTION FROM OX BILE (IN SALT FORM), FROM DEOXYCHOLIC ACID OR CHOLIC ACID, FROM CHOLIC OR DESOXYCHOLIC ACID., U.S. Production: (1977) NOT PRODUCED COMMERCIALLY IN US, (1979) NOT PRODUCED COMMERCIALLY IN US, General Manufacturing Information: ...CHOLIC ACIDS REPRESENTED IN BILE...CHOLIC, DESOXYCHOLIC, & LITHOCHOLIC. ... FREE BILE ACIDS...COMBINE WITH FATTY ACIDS IN VARYING PROP...BY MEANS OF SECONDARY VALENCE FORCES TO FORM CHOLEIC ACIDS. LATTER ARE RESPONSIBLE FOR EMULSIFYING, DISPERSING, &...PROMOTING ABSORPTION OF FATS, CHOLESTEROL, & OIL-SOL VITAMINS., FOUND IN OX BILE, HUMAN BILE, RABBIT BILE, & IN OX & PIG GALLSTONES..
Category: Organic Chemicals.
Independent reference data for lithocholic acid (CAS 434-13-9), compiled from public chemistry databases.
| CAS Registry Number | 434-13-9 |
|---|---|
| PubChem CID | 9903 |
| Molecular formula | C24H40O3 |
| IUPAC name | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 |
| UNII (FDA) | 5QU0I8393U |
| Molecular Weight | 376.6 |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 376.29774513 |
| Monoisotopic Mass | 376.29774513 |
| Topological Polar Surface Area | 57.5 |
| Heavy Atom Count | 27 |
| Melting Point | 363 to 367 °F (NTP, 1992) |
|---|---|
| Melting Point | 184-186 °C |
| Melting Point | 186 °C |
| Solubility | In water, 0.38 mg/l at 25 °C. |
| Solubility | 0.000377 mg/mL |
| Collision Cross Section | 201.4 Ų [M-H]- |
LITHOCHOLIC ACID; 434-13-9; 3alpha-Hydroxy-5beta-cholan-24-oic acid; 3alpha-Hydroxy-5beta-cholanic acid; 3alpha-Hydroxycholanic acid; 3-alpha-Hydroxycholanic acid; 3alpha-Hydroxy-5beta-cholanate; NCI-C03861; 3alpha-Hydroxy-5beta-cholanoic acid; DTXSID6020779; 5-beta-Cholanic acid, 3-alpha-hydroxy-; 5beta-Cholan-24-oic acid, 3alpha-hydroxy-; 17-beta-(1-Methyl-3-carboxypropyl)ethiocholan-3-alpha-ol; Cholan-24-oic acid, 3-hydroxy-, (3alpha,5beta)-; 17beta-(1-Methyl-3-carboxypropyl)etiocholan-3alpha-ol; 5QU0I8393U
| GHS notification summary | 42.9% (3 / 7) |
|---|
| GHS notification summary | 42.9% (3 / 7) |
|---|---|
| Reported hazard statements | H315 (57.1%), H319 (57.1%), H335 (42.9%) |
This chemical does not meet GHS hazard criteria for 42.9% (3 of 7) of reports.
H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]
lithocholic acid · CAS 434-13-9 · C24H40O3. UNII 5QU0I8393U. Melting Point: 363 to 367 °F (NTP, 1992); Melting Point: 184-186 °C; Melting Point: 186 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 石胆酸