Spektraris NMR
6-Hydroxynidorello
Common Name: 6-Hydroxynidorello
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-7-13(2)9-10-14-19(5)12-8-11-18(3,4)16(19)15(21)17(22)20(14,6)23/h7,9,14-17,21-23H,1,8,10-12H2,2-6H3/b13-9+/t14-,15-,16+,17+,19-,20+/m0/s1
InChIKey: InChIKey=JEZOMVOAWYLQAJ-OEJKYMKWSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ramos, F., Takaishi, Y., Kashiwada, Y., Osorio, C., Duque, C., Acuna, R., Fujimoto, Y. Phytochemistry (2008) 69, 2406-10
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) | 39.8 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 43.3 |
| 4 (C) | 33.7 |
| 5 (CH) | 57.2 |
| 6 (CH) | 71.7 |
| 7 (CH) | 85 |
| 8 (C) | 76.9 |
| 9 (CH) | 59.5 |
| 10 (C) | 39.2 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 135.7 |
| 13 (C) | 132.6 |
| 14 (CH) | 141.5 |
| 15 (CH2) | 110.5 |
| 16 (CH3) | 11.9 |
| 17 (CH3) | 16.9 |
| 18 (CH3) | 36.2 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 19.3 |
