Spektraris NMR
Methyl cis-Communate
Common Name: Methyl cis-Communate
Synonyms: Methyl cis-Communate
CAS Registry Number:
InChI: InChI=1S/C21H32O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18+,20+,21-/m0/s1
InChIKey: InChIKey=WYJKGKPQXWDIQP-BRUWWATDSA-N
Formula: C21H32O2
Molecular Weight: 316.478368
Exact Mass: 316.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bastard, J., Duc, D.K., Fetizon, M., Francis, M.J., Grant, P.K., Weavers, R.T., Kaneko, C., Baddeley, G.V., Bernassau, J.M., Burfitt, I.R., Wovkulich, P.M., Wenkert, E. J Nat Prod (1984) 47, 592-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.4 |
| 2 (CH2) | 20.1 |
| 3 (CH2) | 38.6 |
| 4 (C) | 44.4 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 26.1 |
| 7 (CH2) | 38.3 |
| 8 (C) | 146.6 |
| 9 (CH) | 56.4 |
| 10 (C) | 40.3 |
| 11 (CH2) | 23.1 |
| 12 (CH) | 140.3 |
| 13 (C) | 132.2 |
| 14 (CH) | 132.6 |
| 15 (CH2) | 108.8 |
| 16 (CH3) | 11.7 |
| 17 (CH2) | 106.6 |
| 18 (CH3) | 28.8 |
| 19 (C) | 177.6 |
| 20 (CH3) | 12.7 |
| 19a (CH3) | 50.7 |
