chempirical

Hesperidin

C28H34O15CAS 520-26-3610.57 g/mol

Open in Covalent MOL file
OOOHOOOOOHOHOHOHOHHOOHO
AcetalAlcoholEtherKetonePhenol

Properties

Molecular formula
C28H34O15
Molar mass
610.57 g/mol
Exact mass
610.1898 Da
Melting point
262 °C
logP
-1.16Crippen estimate
Polar surface area
234.3 Ų
H-bond donors / acceptors
8 / 15
Rotatable bonds
7
Stereocentres
S, S, R, R, S, R, R, R, S, S, Rin SMILES atom order

Identifiers

CAS number
520-26-3
SMILES
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O
InChIKey
QUQPHWDTPGMPEX-QJBIFVCTSA-N
InChI
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
  • 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-
  • Flavanone, 3′,5,7-trihydroxy-4′-methoxy-, 7-(6-O-α-L-rhamnosyl-D-glucoside)
  • (2S)-7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Cirantin
  • Hesperidoside
  • Hesperetin 7-rutinoside
  • Hesperidine
  • Hesperetin 7-rhamnoglucoside
  • NSC 44184
  • (2S)-Hesperidin
  • Atripliside B
  • Hesperetin 7-O-rutinoside
  • Hesperitin 7-O-rutinoside

Work with Hesperidin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methylhesperidin11013-97-191 % similar Didymin14259-47-387 % similar Eriocitrin13463-28-087 % similar Narirutin14259-46-283 % similar Hesperetin 7-glucoside31712-49-978 % similar Poncirin14941-08-367 % similar Hesperidin methylchalcone24292-52-265 % similar Naringin10236-47-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Neohesperidin13241-33-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia