Spektraris NMR
Methyl-15,16-epoxy-12-oxo-ent-labda-8(17),13(16),14-trien-19-oate
Common Name: Methyl-15,16-epoxy-12-oxo-ent-labda-8(17),13(16),14-trien-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-14-6-7-18-20(2,9-5-10-21(18,3)19(23)24-4)16(14)12-17(22)15-8-11-25-13-15/h8,11,13,16,18H,1,5-7,9-10,12H2,2-4H3/t16-,18+,20+,21-/m1/s1
InChIKey: InChIKey=DVUUHZNLLSLOKO-GKBFQHABSA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - DellaGreca, M., Fiorentino, A., Isidori, M., Monaco, P., Zarrelli, A. Phytochemistry (2000) 55, 909-13
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) | 39.4 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 38 |
| 4 (C) | 44 |
| 5 (CH) | 56 |
| 6 (CH2) | 25.8 |
| 7 (CH2) | 38.2 |
| 8 (C) | 149 |
| 9 (CH) | 50.4 |
| 10 (C) | 39.6 |
| 11 (CH2) | 36.5 |
| 12 (C) | 194 |
| 13 (C) | 125 |
| 14 (CH) | 108.8 |
| 15 (CH) | 144.1 |
| 16 (CH) | 146.6 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 28.8 |
| 19 (C) | 181.1 |
| 20 (CH3) | 13.1 |
| 19b (CH3) | 51.5 |
