Spektraris NMR
Nervonin I
Common Name: Nervonin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O8/c1-10-13-7-14(31-11(2)25)18-23(6)16(28)8-15(27)22(4,5)19(23)17(29)21(32-12(3)26)24(18,9-13)20(10)30/h13-21,27-30H,1,7-9H2,2-6H3/t13-,14+,15+,16+,17-,18+,19-,20-,21+,23+,24+/m1/s1
InChIKey: InChIKey=BFHFKHSUQILWLL-XGNFGCHASA-N
Formula: C24H36O8
Molecular Weight: 452.538768
Exact Mass: 452.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, L.M., Li, G.Y., Ding, L.S., Yang, L.B., Zhao, Y., Pu, H.X., Xiao, W.L., Han, Q.B., Sun, H.D. J Nat Prod (2008) 71, 684-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH) | 76.3 |
| 2 (CH2) | 35.8 |
| 3 (CH) | 77.3 |
| 4 (C) | 37.9 |
| 5 (CH) | 41.1 |
| 6 (CH) | 69.8 |
| 7 (CH) | 81.3 |
| 8 (C) | 45.6 |
| 9 (CH) | 50.2 |
| 10 (C) | 43.2 |
| 11 (CH) | 71.7 |
| 12 (CH2) | 39.3 |
| 13 (CH) | 38.5 |
| 14 (CH2) | 35.5 |
| 15 (CH) | 81.7 |
| 16 (C) | 156 |
| 17 (CH2) | 106.3 |
| 18 (CH3) | 28.6 |
| 19 (CH3) | 24.4 |
| 20 (CH3) | 14 |
| 7a (C) | 170.8 |
| 7b (CH3) | 21.7 |
| 11a (C) | 170.5 |
| 11b (CH3) | 21.4 |
