Spektraris NMR
CHEMBL513196
Common Name: CHEMBL513196
Synonyms: CHEMBL513196
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-7-12(4)18(22)25-15-10-14(11(2)3)17(21)16-13(5)8-9-20(16,24)19(15,6)23/h7,11,14-16,23-24H,5,8-10H2,1-4,6H3/b12-7-/t14-,15-,16-,19+,20-/m1/s1
InChIKey: InChIKey=CNUDIHDLCLICBI-YFKHBROOSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Osaki, N., Koyano, T., Kowithayakorn, T., Hayashi, M., Komiyama, K., Ishibashi, M. J Nat Prod (2005) 68, 447-9
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) | 85.9 |
| 2 (CH2) | 35.1 |
| 3 (CH2) | 30.5 |
| 4 (C) | 146.8 |
| 5 (CH) | 58.7 |
| 6 (C) | 209.6 |
| 7 (CH) | 55 |
| 8 (CH2) | 28 |
| 9 (CH) | 76.9 |
| 10 (C) | 77.9 |
| 11 (CH) | 31.8 |
| 12 (CH3) | 20.5 |
| 13 (CH3) | 18.4 |
| 14 (CH3) | 17.1 |
| 15 (CH2) | 111.4 |
| 16 (C) | 167.9 |
| 17 (C) | 127.5 |
| 18 (CH) | 139.2 |
| 19 (CH3) | 15.9 |
| 20 (CH3) | 20.6 |
