ChemicalBook--->CAS DataBase List--->142037-79-4

142037-79-4

142037-79-4 Structure

142037-79-4 Structure
IdentificationBack Directory
[Name]

14-Epiandrographolide
[CAS]

142037-79-4
[Synonyms]

14-Epiandrographolide
Andrographolide Impurity 6
14-Epiandrographolide >=95% (LC/MS-ELSD)
2(3H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, [1R-[1α[E(R*)],4aβ,5α,6α,8aα]]- (9CI)
[Molecular Formula]

C20H30O5
[MDL Number]

MFCD24849310
[MOL File]

142037-79-4.mol
[Molecular Weight]

350.46
Chemical PropertiesBack Directory
[Boiling point ]

557.3±50.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

solid
[pka]

12.36±0.20(Predicted)
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15+,16+,17-,19+,20+/m1/s1
[InChIKey]

BOJKULTULYSRAS-NPWGMBKGSA-N
[SMILES]

C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@@H](O)COC3=O)C(=C)CC[C@H]12
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

14-?Epiandrographolide is derivative of Andrographolide (A637475), and used as a farnesoid X receptor antagonist in the treatment of cholestatic liver and metabolic diseases.
[Definition]

ChEBI: 14-Epiandrographolide, >=95% (LC/MS-ELSD) is a gamma-lactone.
Spectrum DetailBack Directory
[Spectrum Detail]

14-Epiandrographolide(142037-79-4)1HNMR
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