Narirutin

C27H32O14CAS 14259-46-2580.54 g/mol

Open in Covalent MOL file
OOOOOHOHOOHOOHOHOHOHOH
AcetalAlcoholEtherKetonePhenol

Properties

Molecular formula
C27H32O14
Molar mass
580.54 g/mol
Exact mass
580.1792 Da
Melting point
180 °C
logP
-1.17Crippen estimate
Polar surface area
225.1 Ų
H-bond donors / acceptors
8 / 14
Rotatable bonds
6
Stereocentres
S, R, R, S, S, R, S, S, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
14259-46-2
SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
HXTFHSYLYXVTHC-AJHDJQPGSA-N
InChI
InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1

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

Names and synonyms

10 names
  • 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-
  • 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-
  • Flavanone, 4′,5,7-trihydroxy-, 7β-rutinoside
  • (2S)-7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Naringenin 7-rutinoside
  • Isonaringenin
  • Isonaringin
  • Naringenin 7β-rutinoside
  • (2S)-Narirutin
  • Naringenin 7-O-rutinoside

Work with Narirutin

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

Didymin14259-47-387 % similar Eriocitrin13463-28-087 % similar Methylhesperidin11013-97-183 % similar Hesperidin520-26-383 % similar Poncirin14941-08-366 % similar Neohesperidin13241-33-365 % similar Hesperetin 7-glucoside31712-49-963 % similar Sakuranetin2957-21-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Naringin10236-47-2

Elsewhere

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