Product Identifiers
Catalog # | NX18534 |
CAS Number | 1237479-05-8 |
PubChem CID | 46896123 |
Chemical Name | Hesperetin 3'-O-beta-D-glucuronide |
IUPAC Name | (2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
Synonym | 5-(3,4-Dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl)-2-methoxyphenyl beta-D-glucopyranosiduronic acid |
InChI | InChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t13?,17-,18-,19+,20-,22+/m0/s1 |
InChIKey | PJAUEKWZQWLQSU-WDXLFLMVSA-N |
SMILES | COc1ccc(cc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C3CC(=O)c4c(O)cc(O)cc4O3 |
MDL Number | MFCD28122831 |
Specification
MW | 478.4 |
MF | C22H22O12 |
Assay | >95% |
Special Remarks | Store at -20¡C |
Manufacturer | Apollo Scientific |
Country of Origin | United Kingdom |