Spektraris NMR
1S*, 4R*, 5S*, 6R*, 7S*,10S*-1(5), 6(7)-Diepoxy-4-guaiol
Common Name: 1S*, 4R*, 5S*, 6R*, 7S*,10S*-1(5), 6(7)-Diepoxy-4-guaiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-9(2)13-6-5-10(3)14-8-7-12(4,16)15(14,18-14)11(13)17-13/h9-11,16H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m0/s1
InChIKey: InChIKey=JUPJJDLEQBUJOJ-RHTUOURWSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, G.W., Ma, X.Q., Su, J.Y., Zhang, K., Kurihara, H., Yao, X.S., Zeng, L.M. Nat Prod Res (2006) 20, 659-64
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 76.3 |
| 2 (CH2) | 28.8 |
| 3 (CH2) | 35.8 |
| 4 (C) | 69.8 |
| 5 (C) | 80.4 |
| 6 (CH) | 56.1 |
| 7 (C) | 67.9 |
| 8 (CH2) | 26.3 |
| 9 (CH2) | 25.1 |
| 10 (CH) | 37.5 |
| 11 (CH) | 36.3 |
| 12 (CH3) | 17.7 |
| 13 (CH3) | 18 |
| 14 (CH3) | 18.9 |
| 15 (CH3) | 22.4 |
