Spektraris NMR
CHEMBL501287
Common Name: CHEMBL501287
Synonyms: CHEMBL501287
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-14(2)18-12-11-17-10-9-15(3)7-6-8-16(4)19(21)13-20(17,18)5/h8-9,11,14,18-19,21H,6-7,10,12-13H2,1-5H3/b15-9+,16-8+/t18-,19+,20+/m0/s1
InChIKey: InChIKey=CPCDVXPRDTVABD-ZNNUXXTPSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iguchi, K., Fukaya, T., Yasumoto, A., Watanabe, K. J Nat Prod (2004) 67, 577-83
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Neodolabellanes; 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) | 150 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 128.4 |
| 4 (C) | 131.9 |
| 5 (CH2) | 38.5 |
| 6 (CH2) | 23 |
| 7 (CH) | 127.6 |
| 8 (C) | 138.6 |
| 9 (CH) | 75.9 |
| 10 (CH2) | 47.2 |
| 11 (C) | 51 |
| 12 (CH) | 49.2 |
| 13 (CH2) | 35.6 |
| 14 (CH) | 125.6 |
| 15 (CH3) | 21.8 |
| 16 (CH3) | 15.4 |
| 17 (CH3) | 11.2 |
| 18 (CH) | 30.1 |
| 19 (CH3) | 22.3 |
| 20 (CH3) | 22.9 |
