Spektraris NMR
Methyl athecate
Common Name: Methyl athecate
Synonyms: Methyl athecate
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-15(14-19(23)25-5)8-10-17-16(2)9-11-18-21(17,3)12-7-13-22(18,4)20(24)26-6/h14,17-18H,2,7-13H2,1,3-6H3/b15-14+/t17-,18+,21+,22-/m0/s1
InChIKey: InChIKey=GVEUOELTSSYBCA-NXQHOHPJSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
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) | 39.2 |
| 2 (CH2) | 20 |
| 3 (CH2) | 38.8 |
| 4 (C) | 44.4 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 26.3 |
| 7 (CH2) | 38.3 |
| 8 (C) | 147.8 |
| 9 (CH) | 55.5 |
| 10 (C) | 40.3 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 39.8 |
| 13 (C) | 160.7 |
| 14 (CH) | 115.1 |
| 15 (C) | 177.2 |
| 16 (CH3) | 18.8 |
| 17 (CH2) | 106.5 |
| 18 (CH3) | 28.8 |
| 19 (C) | 177.6 |
| 20 (CH3) | 12.6 |
| 15a (CH3) | 50.7 |
| 19a (CH3) | 50.7 |
