CAS 60696-61-9 to numer rejestracyjny substancji 2β,3β,7α,12α-THBA. Oferty producentów: MedChemExpress, Sigma-Aldrich. Dostępne opakowania: Get quote, 1MG.
(4R)-4-[(2S,3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrahydroxy-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 (CAS 60696-61-9) to związek chemiczny o wzorze sumarycznym C24H40O6 i masie molowej 424.6 g/mol. Nazwa systematyczna IUPAC: (4R)-4-[(2S,3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrahydroxy-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. InChIKey: IMMADCCLTPCOKH-MOXJYSMUSA-N.
| Wzór sumaryczny | C24H40O6 |
|---|---|
| Masa molowa | 424.6 g/mol |
| Nazwa IUPAC | (4R)-4-[(2S,3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrahydroxy-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 |
| InChIKey | IMMADCCLTPCOKH-MOXJYSMUSA-N |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)O)C |
Dane obliczone przez PubChem (NCBI)