Spektraris NMR
CHEMBL458585
Common Name: CHEMBL458585
Synonyms: CHEMBL458585
CAS Registry Number:
InChI: InChI=1S/C19H28O4/c1-11-15(22-12(2)20)9-14-10-18(6)8-7-17(4,5)16(18)19(11,14)23-13(3)21/h14-16H,1,7-10H2,2-6H3/t14-,15-,16-,18-,19+/m0/s1
InChIKey: InChIKey=RZAPQUYGHRDPLJ-BGJMDTOESA-N
Formula: C19H28O4
Molecular Weight: 320.423943
Exact Mass: 320.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, C.H., Wen, Z.H., Wang, S.K., Duh, C.Y. J Nat Prod (2008) 71, 619-21
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Capnellanes; 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) | 44.3 |
| 2 (CH2) | 43.6 |
| 3 (CH2) | 41.7 |
| 4 (C) | 50.2 |
| 5 (CH2) | 45.3 |
| 6 (CH) | 48.1 |
| 7 (CH2) | 35.6 |
| 8 (CH) | 75.4 |
| 9 (C) | 151.5 |
| 10 (C) | 95.7 |
| 11 (CH) | 65.3 |
| 12 (CH2) | 116.4 |
| 13 (CH3) | 31.9 |
| 14 (CH3) | 31.4 |
| 15 (CH3) | 24.4 |
| 8a (C) | 170.9 |
| 8b (CH3) | 21.3 |
| 10a (C) | 169.6 |
| 10b (CH3) | 22 |
