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

Hazards

Not classified as hazardous under GHS by 42 ECHA notifiers. Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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