Spektraris NMR
Pinnatifinoside A
Common Name: Pinnatifinoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O9/c22-8-16-18(26)20(27)21(30-16)7-11-15(29-21)6-13(25)17-12(24)5-14(28-19(11)17)9-1-3-10(23)4-2-9/h1-6,16,18,20,22-23,25-27H,7-8H2/t16-,18-,20+,21+/m1/s1
InChIKey: InChIKey=DIURSMXCAHQJJE-LMQGHGSNSA-N
Formula: C21H18O9
Molecular Weight: 414.363032
Exact Mass: 414.095082
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhang, P.C., Xu, S.X. Phytochemistry (2001) 57, 1249-53
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) | 163.5 |
| 3 (CH) | 102.7 |
| 4 (C) | 181.9 |
| 5 (C) | 161.7 |
| 6 (CH) | 93.8 |
| 7 (C) | 163.3 |
| 8 (C) | 102.5 |
| 9 (C) | 151.5 |
| 10 (C) | 104.2 |
| 1' (C) | 120.9 |
| 2' (CH) | 128.4 |
| 3' (CH) | 115.9 |
| 4' (C) | 161.2 |
| 5' (CH) | 115.9 |
| 6' (CH) | 128.4 |
| 1'' (CH2) | 31.4 |
| 2'' (C) | 121.6 |
| 3'' (CH) | 80.7 |
| 4'' (CH) | 76 |
| 5'' (CH) | 83.9 |
| 6'' (CH2) | 60.8 |
