Spektraris NMR
Excoecarin V2 methyl ester
Common Name: Excoecarin V2 methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-14-11-22-10-9-16(20(2,3)19(24)26-6)21(4,13-18(23)25-5)17(22)8-7-15(14)12-22/h15-17H,1,7-13H2,2-6H3/t15-,16-,17+,21-,22-/m1/s1
InChIKey: InChIKey=FCDZCZFJVWNYCX-DEXZHOSCSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Konishi, T., Yamazoe, K., Kanzato, M., Konoshima, T., Fujiwara, Y. Chem Pharm Bull (2003) 51, 1142-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 41.8 |
| 2 (C) | 172 |
| 3 (C) | 179.9 |
| 4 (C) | 46.4 |
| 5 (CH) | 47.6 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 39.2 |
| 8 (C) | 44.2 |
| 9 (CH) | 48.2 |
| 10 (C) | 43.3 |
| 11 (CH2) | 22.9 |
| 12 (CH2) | 33.3 |
| 13 (CH) | 43.6 |
| 14 (CH2) | 39.7 |
| 15 (CH2) | 48.6 |
| 16 (C) | 155.5 |
| 17 (CH2) | 103.1 |
| 18 (CH3) | 27.4 |
| 19 (CH3) | 23.9 |
| 20 (CH3) | 21.1 |
| 2a (CH3) | 50.8 |
| 3a (CH3) | 51.7 |
