Spektraris NMR
(E)-3-Methyl-5-(13alpha,14-dimethylpodocarpa-8-ene-14alpha-yl)-2-pentenoic acid methyl ester
Common Name: (E)-3-Methyl-5-(13alpha,14-dimethylpodocarpa-8-ene-14alpha-yl)-2-pentenoic acid methyl ester
Synonyms: (E)-3-Methyl-5-(13alpha,14-dimethylpodocarpa-8-ene-14alpha-yl)-2-pentenoic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C26H42O2/c1-18(17-23(27)28-7)13-16-25(5)19(2)9-10-21-20(25)11-12-22-24(3,4)14-8-15-26(21,22)6/h17,19,22H,8-16H2,1-7H3/b18-17+/t19-,22-,25-,26+/m0/s1
InChIKey: InChIKey=ZKXOWWSYVHNNCZ-DWTHGDSNSA-N
Formula: C26H42O2
Molecular Weight: 386.611455
Exact Mass: 386.318481
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ungur, N., Kulciki, V., Gavagnin, M., Castelluccio, F., Vlad, P.F., Cimino, G. Tetrahedron (2002) 58, 10159-65
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Cheilanthanes; 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) | 37 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 41.6 |
| 4 (C) | 33.2 |
| 5 (CH) | 51.5 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 27.2 |
| 8 (C) | 130.8 |
| 9 (C) | 137.3 |
| 10 (C) | 38.3 |
| 11 (CH2) | 20 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 34.7 |
| 14 (C) | 39 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 35.5 |
| 17 (C) | 162 |
| 18 (CH) | 114.6 |
| 19 (C) | 167.3 |
| 20 (CH3) | 33.2 |
| 21 (CH3) | 21.8 |
| 22 (CH3) | 19.8 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 14.7 |
| 25 (CH3) | 19.2 |
| 19a (CH3) | 50.7 |
