Spektraris NMR
CHEMBL1761947
Common Name: CHEMBL1761947
Synonyms: CHEMBL1761947
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14,18,21H,5,8,10-13H2,1-4H3/b15-7+,16-9+/t18-,20+/m1/s1
InChIKey: InChIKey=UPVZGDDJVFXWOG-MKSSYNOGSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gross, H., Wright, A.D., Beil, W., Konig, G.M. Org Biomol Chem (2004) 2, 1133-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 146.1 |
| 2 (CH2) | 27 |
| 3 (CH2) | 27.4 |
| 4 (C) | 133.4 |
| 5 (CH) | 140.2 |
| 6 (CH2) | 34.5 |
| 7 (CH2) | 37.4 |
| 8 (C) | 83.4 |
| 9 (CH) | 66.2 |
| 10 (CH2) | 26.7 |
| 11 (CH2) | 31.4 |
| 12 (C) | 132.2 |
| 13 (CH) | 121 |
| 14 (CH) | 118.8 |
| 15 (CH) | 35.7 |
| 16 (CH3) | 22.1 |
| 17 (CH3) | 22.6 |
| 18 (C) | 166.9 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 19 |
