Spektraris NMR
CHEMBL453812
Common Name: CHEMBL453812
Synonyms: CHEMBL453812
CAS Registry Number:
InChI: InChI=1S/C22H24O5/c1-13(2)16(23)10-15-19(25-3)12-20(26-4)21-17(24)11-18(27-22(15)21)14-8-6-5-7-9-14/h5-9,12,16,18,23H,1,10-11H2,2-4H3/t16-,18+/m1/s1
InChIKey: InChIKey=RKAXZSIBGORDGB-AEFFLSMTSA-N
Formula: C22H24O5
Molecular Weight: 368.423792
Exact Mass: 368.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carcache-Blanco, E.J., Kang, Y.H., Park, E.J., Su, B.N., Kardono, L.B., Riswan, S., Fong, H.H., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2003) 66, 1197-202
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 (CH) | 78.9 |
| 3 (CH2) | 45.8 |
| 4 (C) | 189.8 |
| 5 (C) | 163.8 |
| 6 (CH) | 88.7 |
| 7 (C) | 161.6 |
| 8 (C) | 106.1 |
| 9 (C) | 161.2 |
| 10 (C) | 107.1 |
| 1' (C) | 139 |
| 2' (CH) | 128.7 |
| 3' (CH) | 125.9 |
| 4' (CH) | 128.5 |
| 5' (CH) | 125.9 |
| 6' (CH) | 128.7 |
| 1'' (CH2) | 29.6 |
| 2'' (CH) | 75.6 |
| 3'' (C) | 147.6 |
| 4'' (CH2) | 110 |
| 5'' (CH3) | 18.2 |
| 5a (CH3) | 55.9 |
| 7a (CH3) | 56.1 |
