chempirical

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

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

Weigh it out

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

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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