Produkty 72947-90-1
CAS 72947-90-1 to numer rejestracyjny substancji Hellebrigenin-3-o- -glucoside. Oferty producentów: Sigma-Aldrich. Dostępne opakowania: 1MG.
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde (CAS 72947-90-1) to związek chemiczny o wzorze sumarycznym C30H42O11 i masie molowej 578.6 g/mol. Nazwa systematyczna IUPAC: (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde. InChIKey: AXUYMUBJXHVZEL-DBOUUHTQSA-N.
| Wzór sumaryczny | C30H42O11 |
|---|---|
| Masa molowa | 578.6 g/mol |
| Nazwa IUPAC | (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde |
| InChIKey | AXUYMUBJXHVZEL-DBOUUHTQSA-N |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C=O)O |
Dane obliczone przez PubChem (NCBI)
Synonimy:
Hellebrigenin glucoside, Hellebrigenin-D-glucose, 4-18-00-03182 (Beilstein Handbook Reference), 3-beta-((D-Glucopyranosyl)oxy)-5,14-dihydroxy-19-oxo-5-beta-bufa-20,22-dienolide, Hellebrigenin-3-O-?-glucoside, orb1990367, Hellebrigenin-3-O-??-glucoside, >=95% (LC/MS-ELSD), 3-(Hexopyranosyloxy)-5,14-dihydroxy-19-oxobufa-20,22-dienolide