CAS 1868138-66-2 appears in our catalog under these names: Berberine ursodeoxycholate/ 100%, Berberine ursodeoxycholate, Berberine ursodeoxycholate, 99.34%, Berberine ursodeoxycholate. Offered by: TargetMol, GLPBio, MedChemExpress, Chemat. Available pack sizes: 1mg, 2mg, 5mg, 10mg, 25mg, 50mg, 100mg, 500mg.
(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoate;16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene (CAS 1868138-66-2) is a chemical compound with the molecular formula C44H57NO8 and a molecular weight of 727.9 g/mol. IUPAC name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoate;16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene. InChIKey: FHZVFXJRSFLYDY-FUXQPCDDSA-M.
| Molecular formula | C44H57NO8 |
|---|---|
| Molecular weight | 727.9 g/mol |
| IUPAC name | (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoate;16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene |
| InChIKey | FHZVFXJRSFLYDY-FUXQPCDDSA-M |
| SMILES | C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
Computed by PubChem (NCBI)