Spektraris NMR
5,7,2',4'-tetrahydroxy-3-geranylflavone
Common Name: 5,7,2',4'-tetrahydroxy-3-geranylflavone
Synonyms: 5,7,2',4'-tetrahydroxy-3-geranylflavone
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-9-19-24(30)23-21(29)12-17(27)13-22(23)31-25(19)18-10-8-16(26)11-20(18)28/h5,7-8,10-13,26-29H,4,6,9H2,1-3H3/b15-7+
InChIKey: InChIKey=GRRICQNASNJYBZ-VIZOYTHASA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Lee, D., Bhat, K.P., Fong, H.H., Farnsworth, N.R., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2001) 64, 1286-93
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 162.4 |
| 3 (C) | 121.8 |
| 4 (C) | 183 |
| 5 (C) | 163.4 |
| 6 (CH) | 99.2 |
| 7 (C) | 164.7 |
| 8 (CH) | 94.2 |
| 9 (C) | 159.3 |
| 10 (C) | 105.3 |
| 1' (C) | 113 |
| 2' (C) | 157.2 |
| 3' (CH) | 103.8 |
| 4' (C) | 161.4 |
| 5' (CH) | 108 |
| 6' (CH) | 132.3 |
| 3a (CH2) | 24.4 |
| 3b (CH) | 122.6 |
| 3c (C) | 135.8 |
| 3d (CH2) | 40.4 |
| 3e (CH2) | 27.3 |
| 3f (CH) | 125.1 |
| 3g (C) | 131.6 |
| 3h (CH3) | 25.8 |
| 3i (CH3) | 17.7 |
| 3j (CH3) | 16 |
