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Neohesperidin dihydrochalcone

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For Research Use Only | Not For Clinical Use
CATAPS20702776A
CAS20702-77-6
Structure
MDL NumberMFCD00017711
SynonymsNeohesperidin DHC,Neohesperidin-dihydrochalcone, Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D- (8CI), 1-[4-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-1-propanone, Neohesperidine dihydrochalcone, 1-Propanone, 1-[4-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-, Neohesperidin dihydrochalcone, NHDC, Neohesperidin DC, Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-alpha-L-rhamnopyranosyl- (7CI), Citrosa, 1-[4-[[2-O-(6-Deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
IUPAC Name1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
Molecular Weight612.58
Molecular FormulaC28H36O15
EC Number243-978-6
Canonical SMILESCOc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc2O)cc1O
InChIInChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChI KeyITVGXXMINPYUHD-CUVHLRMHSA-N
Descriptionanalytical standard
Accurate Mass612.2054
Assay≥98% (HPLC)
Formneat; gas chromatography (GC): suitable
FormatNeat
Gradeanalytical standard
Impurities≤15% water
MP156-158 °C (lit.)
ShippingRoom Temperature
Size100MG
Storage Conditions+4°C
SubcategoryPharmaceutical and veterinary compounds and metabolites
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