Spektraris NMR
Zerumin A
Common Name: Zerumin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14-6-9-17-19(2,3)10-5-11-20(17,4)16(14)8-7-15(13-21)12-18(22)23/h7,13,16-17H,1,5-6,8-12H2,2-4H3,(H,22,23)/b15-7+/t16-,17-,20+/m0/s1
InChIKey: InChIKey=ZAWWSYIDZKWRAI-OFWUXJPWSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, H.X., Dong, H., Sim, K.Y. Phytochemistry (1996) 42, 149-51
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) | 39.2 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42 |
| 4 (C) | 33.6 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 37.9 |
| 8 (C) | 148 |
| 9 (CH) | 56.4 |
| 10 (C) | 39.6 |
| 11 (CH2) | 24.6 |
| 12 (CH) | 159.4 |
| 13 (C) | 135.7 |
| 14 (CH2) | 29.6 |
| 15 (C) | 175.3 |
| 16 (CH) | 193.6 |
| 17 (CH2) | 107.9 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.4 |
