Products 53931-25-2
CAS 53931-25-2 appears in our catalog under these names: Hederagenin 28-O-beta-D-glucopyranosyl ester/ 99.95% (existing batch purity), Hederagenin 28-O-beta-D-glucopyranosyl ester, Hederagenin 28-O-beta-D-glucopyranosyl ester, 99.04%. Offered by: TargetMol, Chemat, MedChemExpress. Available pack sizes: 1mg, 2mg, 5mg, 10mg, 25mg, 1 mg, 5 mg.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate (CAS 53931-25-2) is a chemical compound with the molecular formula C36H58O9 and a molecular weight of 634.8 g/mol. IUPAC name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate. InChIKey: WJMMBVSOQPALFO-DLQTVUGOSA-N.
| Molecular formula | C36H58O9 |
|---|---|
| Molecular weight | 634.8 g/mol |
| IUPAC name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| InChIKey | WJMMBVSOQPALFO-DLQTVUGOSA-N |
| SMILES | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)CO)O |
Computed by PubChem (NCBI)
Synonyms:
hederagenin 28-O-beta-D-glucopyranosyl ester, O-glucopyranosylepiederagenin, 28-, hederagenin 28-O-beta-D-glucopyranoside, 28-Glc-hederagenin, hederagenin-28-O-glc, Hederagenin 28-D-glucoside, hederagenin-28-O-B-glucoside, orb1303433, O-glucopyranosylepiederagenin,28-, hederagenin-28-O-beta-D-glucoside