Spektraris NMR
Pinnatifinoside B
Common Name: Pinnatifinoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H20O10/c1-10(24)30-9-18-20(28)22(29)23(33-18)8-13-17(32-23)7-15(27)19-14(26)6-16(31-21(13)19)11-2-4-12(25)5-3-11/h2-7,18,20,22,25,27-29H,8-9H2,1H3/t18-,20-,22+,23+/m1/s1
InChIKey: InChIKey=JPQIZNMBTLLOPM-SQMBMXPBSA-N
Formula: C23H20O10
Molecular Weight: 456.39979
Exact Mass: 456.105647
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) | 102.9 |
| 4 (C) | 182.1 |
| 5 (C) | 161.9 |
| 6 (CH) | 94 |
| 7 (C) | 163.4 |
| 8 (C) | 102.4 |
| 9 (C) | 151.7 |
| 10 (C) | 104.5 |
| 1' (C) | 121 |
| 2' (CH) | 128.6 |
| 3' (CH) | 116 |
| 4' (C) | 161.3 |
| 5' (CH) | 116 |
| 6' (CH) | 128.6 |
| 1'' (CH2) | 31.6 |
| 2'' (C) | 121.6 |
| 3'' (CH) | 80.7 |
| 4'' (CH) | 76.8 |
| 5'' (CH) | 80.5 |
| 6'' (CH2) | 63.8 |
| 6''a (C) | 170.3 |
| 6''b (CH3) | 20.6 |
