Spektraris NMR
Nepetin 4'-glucoside
Common Name: Nepetin 4'-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-13(32-14)8-2-3-12(9(24)4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1
InChIKey: InChIKey=FKEFURJFBYTFMP-IWLDQSELSA-N
Formula: C22H22O12
Molecular Weight: 478.403745
Exact Mass: 478.111126
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Iwashina, T., Kamenosono, T., Ueno, T. Phytochemistry (1999) 51, 1109-11
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) | 163.3 |
| 3 (CH) | 103.6 |
| 4 (C) | 182.2 |
| 5 (C) | 152.8 |
| 6 (C) | 131.5 |
| 7 (C) | 157.5 |
| 8 (CH) | 94.4 |
| 9 (C) | 152.5 |
| 10 (C) | 104.2 |
| 1' (C) | 124.8 |
| 2' (CH) | 113.7 |
| 3' (C) | 147 |
| 4' (C) | 148.6 |
| 5' (CH) | 116.1 |
| 6' (CH) | 118.6 |
| 1'' (CH) | 101.3 |
| 2'' (CH) | 73.3 |
| 3'' (CH) | 75.9 |
| 4'' (CH) | 69.9 |
| 5'' (CH) | 77.4 |
| 6'' (CH2) | 60.8 |
| 6a (CH3) | 60 |
