Spektraris NMR
Nepetanudone
Common Name: Nepetanudone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O4/c1-9-5-7-13-11(3)16-20-10(2)6-8-14(20)12(4)15(23-18(20)22)19(9,13)17(21)24-16/h9-10,15-16H,5-8H2,1-4H3/t9-,10-,15-,16+,19-,20+/m0/s1
InChIKey: InChIKey=KESCUBFFLAUUPO-PSLUFOCKSA-N
Formula: C20H24O4
Molecular Weight: 328.402916
Exact Mass: 328.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gkinis, G., Ioannou, E., Quesada, A., Vagias, C., Tzakou, O., Roussis, V. J Nat Prod (2008) 71, 926-8
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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 |
|---|---|
| 1 (C) | 171.9 |
| 3 (CH) | 79.1 |
| 4 (C) | 140.8 |
| 5 (C) | 132.2 |
| 6 (CH2) | 25.6 |
| 7 (CH2) | 30.6 |
| 8 (CH) | 43.5 |
| 9 (C) | 67.3 |
| 10 (CH3) | 16.8 |
| 11 (CH3) | 16 |
| 1' (C) | 174.2 |
| 3' (CH) | 87.7 |
| 4' (C) | 142.5 |
| 5' (C) | 132.2 |
| 6' (CH2) | 26.7 |
| 7' (CH2) | 31.4 |
| 8' (CH) | 41.3 |
| 9' (C) | 65 |
| 10' (CH3) | 14 |
| 11' (CH3) | 16.6 |
