What is the molecular formula of Lithocholic acid?

The molecular formula of Lithocholic acid is C24H40O3.

What is the molecular weight of Lithocholic acid?

The molecular weight of Lithocholic acid is 376.6 g/mol.

What is the IUPAC name of Lithocholic acid?

The IUPAC name of Lithocholic acid is (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.

What are the synonyms of Lithocholic acid?

The synonyms of Lithocholic acid are LITHOCHOLIC ACID, 434-13-9, Lithocolic acid, and Lithocholate.

What is the InChI of Lithocholic acid?

The InChI of Lithocholic acid is InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21-,23+,24-/m1/s1.

What is the Canonical SMILES of Lithocholic acid?

The Canonical SMILES of Lithocholic acid is CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.

What is the CAS number of Lithocholic acid?

The CAS number of Lithocholic acid is 434-13-9.

What is the EC number of Lithocholic acid?

The EC number of Lithocholic acid is 207-099-1.

What is the ChEMBL ID of Lithocholic acid?

The ChEMBL ID of Lithocholic acid is CHEMBL1478.

What is the Wikipedia page for Lithocholic acid?

The Wikipedia page for Lithocholic acid is Lithocholic_acid.

CAS 434-13-9 Lithocholic Acid - Carboxyl / Alfa Chemistry

Name: Lithocholic Acid
SKU: ACM434139
Rating: 5 (1 reviews)

Catalog Number	ACM434139
CAS	434-13-9
Structure
Description	A cholic acid derivative as TGR5 modulator. Found in ox bile, human bile, rabbit bile, and in ox and pig gallstones.
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
Synonyms	3α-Hydroxy-5β-cholanic acid
Molecular Weight	376.57
Molecular Formula	C24H40O3
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
Inchi	InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey	SMEROWZSTRWXGI-HVATVPOCSA-N
Boiling Point	445.09 °C
Melting Point	183-188 °C(lit.)
Flash Point	9 °C
Purity	98%
Density	1.0454 g/cm³
Solubility	Soluble in DMSO or EtOH
Appearance	White to off-white powder
Storage	Room temperature
Refractive Index	35.5 ° (C=1, EtOH)