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Eriodictyol
CAS: 552-58-9 | C15H12O6
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
552-58-9
Molecular Formula:
C15H12O6
Molecular Mass:
288.26 g/mol
Names and Synonyms:
Eriodictyol
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-
Eriodictyol
Flavanone, 3′,4′,5,7-tetrahydroxy-
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (S)-
(2S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
(S)-3′,4′,5,7-Tetrahydroxyflavanone
(2S)-Eriodictyol
Huazhongilexone
(+)-Eriodictyol
3′,4′,5,7-Tetrahydroxyflavanone
(S)-2,3-Dihydroluteolin
(2S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Identifiers:
SMILES:
O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21
InChI:
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
Key Properties
Melting Point
267 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.26 g/mol | CAS Common Chemistry |
| 288.25500000000005 g/mol | RDKit | |
| 288.063388104 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Eriodictyol | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C(O)=C3)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SBHXYTNGIZCORC-ZDUSSCGKSA-N | CAS Common Chemistry |
| Melting Point | 267 °C (decomp) | CAS Common Chemistry |
| Name | (+)-Eriodictyol | CAS Common Chemistry |
| Eriodictyol | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 107.22000000000001 Ų | RDKit |
| LogP | 2.215500000000001 | RDKit |
| Molar Refractivity | 71.85970000000002 | RDKit |
