Spektraris NMR
MEGxp0_000947
Common Name: MEGxp0_000947
Synonyms: MEGxp0_000947
CAS Registry Number:
InChI: InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)31-14-5-9(23)4-13-17(14)10(6-16(26)30-13)8-1-2-11(24)12(25)3-8/h1-6,15,18-25,27-29H,7H2/t15-,18-,19+,20-,21-/m1/s1
InChIKey: InChIKey=VAPVFWUBNBLVMB-CMWLGVBASA-N
Formula: C21H20O11
Molecular Weight: 448.377723
Exact Mass: 448.100561
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Aquino R., D'Agostino M., DeSimone F., Pizza C. Phytochemistry (1988) 27, 1827
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 163.6 |
| 3 (CH) | 112.3 |
| 4 (C) | 158.3 |
| 5 (C) | 158.1 |
| 6 (CH) | 98.1 |
| 7 (C) | 163.2 |
| 8 (CH) | 101.1 |
| 9 (C) | 157.3 |
| 10 (C) | 104.5 |
| 1' (C) | 133.1 |
| 2' (CH) | 117.1 |
| 3' (C) | 145.5 |
| 4' (C) | 146.9 |
| 5' (CH) | 115.9 |
| 6' (CH) | 120.5 |
| 5a (CH) | 101.4 |
| 5b (CH) | 74.6 |
| 5c (CH) | 78.2 |
| 5d (CH) | 71.1 |
| 5e (CH) | 77.7 |
| 5f (CH2) | 62.5 |
