Spektraris NMR
Gnaphalidin
Common Name: Gnaphalidin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O8/c1-14-9-20(27)24(13-29-15(2)25)19(5-4-7-22(24)12-30-22)23(14)10-18(17-6-8-28-11-17)32-21(23)31-16(3)26/h6,8,11,14,18-19,21H,4-5,7,9-10,12-13H2,1-3H3/t14-,18+,19-,21-,22+,23-,24+/m1/s1
InChIKey: InChIKey=GXQZOQHVBGNFHI-CZQCRYLRSA-N
Formula: C24H30O8
Molecular Weight: 446.491124
Exact Mass: 446.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B., delaTorre, M.C., Bruno, M., Piozzi, F., Vassallo, N., Ciriminna, R., Servettaz, O. Phytochemistry (1996) 43, 435-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 23.3 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 33 |
| 4 (C) | 61.1 |
| 5 (C) | 54.3 |
| 6 (C) | 205.6 |
| 7 (CH2) | 45 |
| 8 (CH) | 41.7 |
| 9 (C) | 51.6 |
| 10 (CH) | 55.1 |
| 11 (CH2) | 45.7 |
| 12 (CH) | 71.1 |
| 13 (C) | 125.7 |
| 14 (CH) | 108.4 |
| 15 (CH) | 143.4 |
| 16 (CH) | 139.4 |
| 17 (CH3) | 18 |
| 18 (CH2) | 49.2 |
| 19 (CH2) | 61.8 |
| 20 (CH) | 97.8 |
| 19a (C) | 170.4 |
| 19b (CH3) | 21.3 |
| 20a (C) | 169.3 |
| 20b (CH3) | 20.7 |
