Spektraris NMR
Excoecarin T1 dimethyl ester
Common Name: Excoecarin T1 dimethyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O6/c1-19(2,18(24)26-7)14-8-10-21(4)15(20(14,3)12-17(23)25-6)9-11-22(5,28-21)16-13-27-16/h14-16H,8-13H2,1-7H3/t14-,15+,16-,20-,21+,22-/m1/s1
InChIKey: InChIKey=LOMIMFGOZFHXSO-AJCCGCCGSA-N
Formula: C22H36O6
Molecular Weight: 396.518486
Exact Mass: 396.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Konishi, T., Yamazoe, K., Konoshima, T., Fujiwara, Y. Phytochemistry (2003) 64, 835-40
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) | 41.1 |
| 2 (C) | 171.6 |
| 3 (C) | 179.6 |
| 4 (C) | 46.2 |
| 5 (CH) | 48 |
| 6 (CH2) | 22 |
| 7 (CH2) | 41.7 |
| 8 (C) | 74.9 |
| 9 (CH) | 49.7 |
| 10 (C) | 41.5 |
| 11 (CH2) | 17.2 |
| 12 (CH2) | 31.8 |
| 13 (C) | 71.5 |
| 14 (CH) | 58.9 |
| 15 (CH2) | 45.9 |
| 16 (CH3) | 28.4 |
| 17 (CH3) | 22 |
| 18 (CH3) | 27.6 |
| 19 (CH3) | 23.9 |
| 20 (CH3) | 19.5 |
| 2a (CH3) | 51 |
| 3a (CH3) | 51.8 |
