ChemicalBook--->CAS DataBase List--->13042-33-6

13042-33-6

13042-33-6 Structure

13042-33-6 Structure
IdentificationBack Directory
[Name]

glycohyodeoxycholic acid
[CAS]

13042-33-6
[Synonyms]

Hyodeoxycholylglycine
Glycine Hyodeoxycholate
Glycylhyodeoxycholic Acid
Glycohyodeoxycholic Acid Standard
glycohyodeoxycholic acid USP/EP/BP
Glycohyodeoxycholic Acid MaxSpec? Standard
N-(3α,6α-Dihydroxy-5β-cholan-24-oyl)glycine
N-(3α,6α-Dihydroxy-24-oxo-5β-cholan-24-yl)glycine
N-[(3α,5β,6α)-3,6-Dihydroxy-24-oxocholan-24-yl]glycine
Glycine, N-[(3α,5β,6α)-3,6-dihydroxy-24-oxocholan-24-yl]-
2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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]pentanoyl]amino]aceticaci
2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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]pentanoyl]amino]acetic acid
[Molecular Formula]

C26H43NO5
[MDL Number]

MFCD00200631
[MOL File]

13042-33-6.mol
[Molecular Weight]

449.62
Chemical PropertiesBack Directory
[Boiling point ]

655.6±40.0 °C(Predicted)
[density ]

1.162±0.06 g/cm3(Predicted)
[storage temp. ]

Store at RT
[solubility ]

DMF: 30 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 20 mg/ml; Ethanol: 20 mg/ml
[form ]

A crystalline solid
[pka]

3.58±0.10(Predicted)
[color ]

White to off-white
[InChIKey]

SPOIYSFQOFYOFZ-BRDORRHWSA-N
[SMILES]

N(CC(=O)O)C(=O)CC[C@H]([C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@H]([C@H](C3)O)C[C@@H](CC4)O)C)CC2)CC1)C)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Glycine conjugated Hyodeoxycholate, facilitates the biological transport of Hyodeoxycholate within the intestine
[Definition]

ChEBI: Glycohyodeoxycholic acid is a bile acid glycine conjugate.
[IC 50]

Human Endogenous Metabolite
[storage]

Store at RT
Spectrum DetailBack Directory
[Spectrum Detail]

glycohyodeoxycholic acid(13042-33-6)1HNMR
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