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8-Prenylnaringenin
CAS: 53846-50-7 | C20H20O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
53846-50-7
Molecular Formula:
C20H20O5
Molecular Mass:
340.38 g/mol
Names and Synonyms:
8-Prenylnaringenin
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-, (2S)-
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-, (S)-
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-, (2S)-
(2S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
Flavaprenin
Sophoraflavanone B
8-C-Prenylnaringenin
8-Prenylnaringenin
(-)-8-Prenylnaringenin
8-Prenylnarangenin
Identifiers:
SMILES:
CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O
InChI:
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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 | 340.38 g/mol | CAS Common Chemistry |
| 340.37500000000006 g/mol | RDKit | |
| 340.13107374 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/8-Prenylnaringenin | CAS Common Chemistry |
| Canonical SMILES | O=C1C2=C(O)C=C(O)C(=C2OC(C3=CC=C(O)C=C3)C1)CC=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LPEPZZAVFJPLNZ-SFHVURJKSA-N | CAS Common Chemistry |
| Name | (-)-8-Prenylnaringenin | CAS Common Chemistry |
| 8-Prenylnaringenin | CAS Common Chemistry | |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 86.99000000000001 Ų | RDKit |
| LogP | 4.018600000000003 | RDKit |
| Molar Refractivity | 93.32990000000005 | RDKit |
