Eriocitrin

C27H32O15CAS 13463-28-0596.54 g/mol

Open in Covalent MOL file
OOOOOHOHOHOOHOOHOHOHOHOH
AcetalAlcoholEtherKetonePhenol

Properties

Molecular formula
C27H32O15
Molar mass
596.54 g/mol
Exact mass
596.1741 Da
Melting point
154–164 °C
logP
-1.46Crippen estimate
Polar surface area
245.3 Ų
H-bond donors / acceptors
9 / 15
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
13463-28-0
SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)c(O)c3)CC4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
OMQADRGFMLGFJF-MNPJBKLOSA-N
InChI
InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1

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Names and synonyms

7 names
  • 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-, (2S)-
  • Flavanone, 3′,4′,5,7-tetrahydroxy-, 7-[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside]
  • 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-, (S)-
  • Glucopyranoside, eriodictyol-7 6-O-(6-deoxy-α-L-mannopyranosyl)-, β-D-
  • (2S)-7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one
  • Eriodictyol 7-O-rutinoside
  • Eriodictioside

Work with Eriocitrin

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

Hesperidin520-26-387 % similar Narirutin14259-46-287 % similar Methylhesperidin11013-97-185 % similar Didymin14259-47-383 % similar Neohesperidin13241-33-368 % similar Hesperetin 7-glucoside31712-49-967 % similar Naringin10236-47-266 % similar Poncirin14941-08-363 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cassiaside C119170-52-4 Rubrofusarin gentiobioside24577-90-0

Elsewhere

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