Spektraris NMR
CHEMBL95649
Common Name: CHEMBL95649
Synonyms: CHEMBL95649
CAS Registry Number:
InChI: InChI=1S/C20H34O/c1-15(11-14-21)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18,21H,6,8-10,12-14H2,1-5H3/b15-11+/t17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=PQTMZYKTDFKGKV-DGLGTODWSA-N
Formula: C20H34O1
Molecular Weight: 290.484108
Exact Mass: 290.260966
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Blas, B., Zapp, J., Becker, H. Phytochemistry (2004) 65, 127-37
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 17.7 |
| 2 (CH2) | 24 |
| 3 (CH) | 123.1 |
| 4 (C) | 139.8 |
| 5 (C) | 36.9 |
| 6 (CH2) | 37.7 |
| 7 (CH2) | 28.8 |
| 8 (CH) | 37.3 |
| 9 (C) | 40.1 |
| 10 (CH) | 44.6 |
| 11 (CH2) | 36.5 |
| 12 (CH2) | 32.7 |
| 13 (C) | 141.1 |
| 14 (CH) | 122.8 |
| 15 (CH2) | 59.4 |
| 16 (CH3) | 16.5 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 19.7 |
| 19 (CH3) | 33 |
| 20 (CH3) | 17.2 |
