Produkty 27994-12-3
CAS 27994-12-3 to numer rejestracyjny substancji 25-O-Acetylcimigenol xyloside. Oferty producentów: MedChemExpress. Dostępne opakowania: 1 mg, 5 mg.
2-[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-22-yl]propan-2-yl acetate (CAS 27994-12-3) to związek chemiczny o wzorze sumarycznym C37H58O10 i masie molowej 662.8 g/mol. Nazwa systematyczna IUPAC: 2-[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-22-yl]propan-2-yl acetate. InChIKey: NNFJPOSVDKIWPO-GEOUWNACSA-N.
| Wzór sumaryczny | C37H58O10 |
|---|---|
| Masa molowa | 662.8 g/mol |
| Nazwa IUPAC | 2-[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-22-yl]propan-2-yl acetate |
| InChIKey | NNFJPOSVDKIWPO-GEOUWNACSA-N |
| SMILES | C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O2)C(C)(C)OC(=O)C |
Dane obliczone przez PubChem (NCBI)
Synonimy:
25-O-acetylcimigenol xyloside, Cimigenoside, 25-acetate, 25-O-ACETYLCIMIGENOL-3-O-beta-D-XYLOSIDE (24S) (CONSTITUENT OF BLACK COHOSH), 25-O-Acetylcimigenol-3-o-beta-D-xylopyranoside, 25-acetate-Cimigenoside, 25-O-Acetylcimigenoside, 25-O-acetyl-cimigenol-3-O-xyloside, 25-O-acetylcimigenol 3-O-beta-D-xylopyranoside, (23R,24S) 25-O-acetyl-cimigenol-3-O-beta-D-xylopyranoside