Spektraris NMR
6β,7α,15-Triisovaleryloxy-labda-8,13E-diene
Common Name: 6β,7α,15-Triisovaleryloxy-labda-8,13E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O6/c1-22(2)19-28(36)39-18-15-25(7)13-14-27-26(8)31(40-29(37)20-23(3)4)32(41-30(38)21-24(5)6)33-34(9,10)16-12-17-35(27,33)11/h15,22-24,31-33H,12-14,16-21H2,1-11H3/b25-15+/t31-,32+,33-,35+/m0/s1
InChIKey: InChIKey=NUTOCIOWSVCFBF-HIXUXPLQSA-N
Formula: C35H58O6
Molecular Weight: 574.83275
Exact Mass: 574.42334
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 8815-29
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.1 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 43 |
| 4 (C) | 33.4 |
| 5 (CH) | 49.1 |
| 6 (CH) | 69.6 |
| 7 (CH) | 73.5 |
| 8 (C) | 121.5 |
| 9 (C) | 147.5 |
| 10 (C) | 39.5 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 38.3 |
| 13 (C) | 142.3 |
| 14 (CH) | 118.1 |
| 15 (CH2) | 61.4 |
| 16 (CH3) | 16.6 |
| 17 (CH3) | 17 |
| 18 (CH3) | 33 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 21.5 |
| 6a (C) | 172.5 |
| 6b (CH2) | 44.1 |
| 6c (CH) | 25.5 |
| 6d (CH3) | 22.5 |
| 6e (CH3) | 22.4 |
| 7a (C) | 170.1 |
| 7b (CH2) | 44 |
| 7c (CH) | 25.4 |
| 7d (CH3) | 22.5 |
| 7e (CH3) | 22.3 |
| 15a (C) | 169.8 |
| 15b (CH2) | 44 |
| 15c (CH) | 25.4 |
| 15d (CH3) | 22.4 |
| 15e (CH3) | 22.3 |
