Spektraris NMR
Nervonin J
Common Name: Nervonin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-10-12-6-13(24)18-21(5)16(27)7-15(26)20(3,4)17(21)14(25)9-22(18,8-12)19(10)28-11(2)23/h12-13,15-19,24,26-27H,1,6-9H2,2-5H3/t12-,13+,15+,16+,17-,18+,19-,21-,22+/m1/s1
InChIKey: InChIKey=ZCRPVWMRYCOZCH-BGNALAMCSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
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) | 74.8 |
| 2 (CH2) | 35.7 |
| 3 (CH) | 76.7 |
| 4 (C) | 36.8 |
| 5 (CH) | 57.4 |
| 6 (C) | 210.2 |
| 7 (CH2) | 52.8 |
| 8 (C) | 47.9 |
| 9 (CH) | 57.1 |
| 10 (C) | 47.8 |
| 11 (CH) | 65.8 |
| 12 (CH2) | 42.8 |
| 13 (CH) | 37.7 |
| 14 (CH2) | 36.5 |
| 15 (CH) | 82.1 |
| 16 (C) | 152.4 |
| 17 (CH2) | 109.6 |
| 18 (CH3) | 26.8 |
| 19 (CH3) | 22 |
| 20 (CH3) | 13.7 |
| 15a (C) | 170.8 |
| 15b (CH3) | 21.3 |
