Spektraris NMR
15,16-Epoxy-15-methoxy-ent-labd-8(17)-en18-oic acid methyl ester
Common Name: 15,16-Epoxy-15-methoxy-ent-labd-8(17)-en18-oic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-15-7-10-18-21(2,11-6-12-22(18,3)20(23)25-5)17(15)9-8-16-13-19(24-4)26-14-16/h16-19H,1,6-14H2,2-5H3/t16?,17-,18+,19?,21+,22+/m1/s1
InChIKey: InChIKey=NIBFPIMJNYKYKK-CTWQIRSUSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carreras, C.R., Rossomando, P.C., Giordano, O.S. Phytochemistry (1998) 48, 1031-4
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) | 37.8 |
| 2 (CH2) | 17.3 |
| 3 (CH2) | 36.8 |
| 4 (C) | 47.6 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 26.6 |
| 7 (CH2) | 37.6 |
| 8 (C) | 147.7 |
| 9 (CH) | 56.5 |
| 10 (C) | 38.9 |
| 11 (CH2) | 22 |
| 12 (CH2) | 31.9 |
| 13 (CH) | 37.3 |
| 14 (CH2) | 39 |
| 15 (CH) | 105.1 |
| 16 (CH2) | 71.5 |
| 17 (CH2) | 106.7 |
| 18 (C) | 179.1 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 14.5 |
| 15a (CH3) | 54.4 |
| 18a (CH3) | 51.7 |
