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CAS RN 13241-33-3

CH3OOH(S)OOHO(S)O(R)HO(S)OH(S)OH(R)O(S)O(S)H3C(R)HO(R)OH(R)OHO

CAS RN 13241-33-3

IUPAC Name: (2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Synonyms: neohesperidin neohesperidin (8CI) hesperetin 7-neohesperidoside
Molecular Weight (g/mol): 610.57
Molecular Formula: C28H34O15
InChi Key: ARGKVCXINMKCAZ-UZRWAPQLSA-N
SMILES: COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O1

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1

Neohesperidin, 97.8%, MP Biomedicals™

CAS: 13241-33-3 Molecular Formula: C28H34O15 Molecular Weight (g/mol): 610.565 MDL Number: MFCD16661259 InChI Key: ARGKVCXINMKCAZ-CIDMPNHLSA-N Synonym: hesperetin-7-o-neohesperidoside PubChem CID: 134129340 IUPAC Name: (2S)-7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O

PubChem CID 134129340
CAS 13241-33-3
Molecular Weight (g/mol) 610.565
MDL Number MFCD16661259
SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
Synonym hesperetin-7-o-neohesperidoside
IUPAC Name (2S)-7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
InChI Key ARGKVCXINMKCAZ-CIDMPNHLSA-N
Molecular Formula C28H34O15
2

phyproof™ Neohesperidin, ≥95% (HPLC), MilliporeSigma™ Supelco™

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG