Produkty 111127-79-8
CAS 111127-79-8 to numer rejestracyjny substancji beta-Muricholic Acid Glucuronide conjugate 3. Oferty producentów: TRC. Dostępne opakowania: 50mg.
(2S,3S,4S,5R,6R)-6-[[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-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-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 111127-79-8) to związek chemiczny o wzorze sumarycznym C30H48O11 i masie molowej 584.7 g/mol. Nazwa systematyczna IUPAC: (2S,3S,4S,5R,6R)-6-[[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-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-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: XVNRNIWARCALGY-OJVUAATQSA-N.
| Wzór sumaryczny | C30H48O11 |
|---|---|
| Masa molowa | 584.7 g/mol |
| Nazwa IUPAC | (2S,3S,4S,5R,6R)-6-[[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-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-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| InChIKey | XVNRNIWARCALGY-OJVUAATQSA-N |
| 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@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C |
Dane obliczone przez PubChem (NCBI)