Produkty 156769-94-7
CAS 156769-94-7 to numer rejestracyjny substancji Agroastragaloside I. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.
[(2S,3R,4S,5R)-3-acetyloxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-14-hydroxy-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-5-hydroxyoxan-4-yl] acetate (CAS 156769-94-7) to związek chemiczny o wzorze sumarycznym C45H74O16 i masie molowej 871.1 g/mol. Nazwa systematyczna IUPAC: [(2S,3R,4S,5R)-3-acetyloxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-14-hydroxy-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-5-hydroxyoxan-4-yl] acetate. InChIKey: ZQWCDHXEDOSWFH-YAQXNABZSA-N.
| Wzór sumaryczny | C45H74O16 |
|---|---|
| Masa molowa | 871.1 g/mol |
| Nazwa IUPAC | [(2S,3R,4S,5R)-3-acetyloxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-14-hydroxy-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-5-hydroxyoxan-4-yl] acetate |
| InChIKey | ZQWCDHXEDOSWFH-YAQXNABZSA-N |
| SMILES | C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1[C@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2C[C@@H]([C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)OC(=O)C)OC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)O |
Dane obliczone przez PubChem (NCBI)