Spektraris NMR
Nervonin A
Common Name: Nervonin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O10/c1-12-17-8-18(35-13(2)29)21-26(7)20(36-14(3)30)9-19(33)25(6)11-28(34,23(25)26)24(38-16(5)32)27(21,10-17)22(12)37-15(4)31/h17-24,33-34H,1,8-11H2,2-7H3/t17-,18+,19+,20+,21+,22-,23-,24-,25+,26+,27+,28-/m1/s1
InChIKey: InChIKey=LEZWYXVEIYCMRT-GBAFPBKCSA-N
Formula: C28H38O10
Molecular Weight: 534.596403
Exact Mass: 534.246497
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) | 80.6 |
| 2 (CH2) | 34.5 |
| 3 (CH) | 74.8 |
| 4 (C) | 43 |
| 5 (CH) | 39.4 |
| 6 (C) | 78.2 |
| 7 (CH) | 84 |
| 8 (C) | 48.8 |
| 9 (CH) | 50.6 |
| 10 (C) | 38.5 |
| 11 (CH) | 69.5 |
| 12 (CH2) | 38.6 |
| 13 (CH) | 39 |
| 14 (CH2) | 37.1 |
| 15 (CH) | 80.2 |
| 16 (C) | 151.4 |
| 17 (CH2) | 107 |
| 18 (CH2) | 47.3 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 12.2 |
| 1a (C) | 171 |
| 1b (CH3) | 21.7 |
| 7a (C) | 170.6 |
| 7b (CH3) | 21.6 |
| 11a (C) | 170.4 |
| 11b (CH3) | 21.4 |
| 15a (C) | 169.8 |
| 15b (CH3) | 20.9 |
