Spektraris NMR
15-Methoxypinusolidic Acid
Common Name: 15-Methoxypinusolidic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O5/c1-13-6-9-16-20(2,10-5-11-21(16,3)19(23)24)15(13)8-7-14-12-17(25-4)26-18(14)22/h12,15-17H,1,5-11H2,2-4H3,(H,23,24)/t15-,16+,17?,20+,21-/m0/s1
InChIKey: InChIKey=OREKSZUASHFFQA-OBNOUSFBSA-N
Formula: C21H30O5
Molecular Weight: 362.460701
Exact Mass: 362.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chien, S.C., Liu, H.K., Kuo, Y.H. Chem Pharm Bull (2004) 52, 762-3
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) | 39.2 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 37.9 |
| 4 (C) | 44.2 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 26 |
| 7 (CH2) | 38.6 |
| 8 (C) | 147.2 |
| 9 (CH) | 55.7 |
| 10 (C) | 40.5 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 24.5 |
| 13 (C) | 139.2 |
| 14 (CH) | 141.5 |
| 15 (CH) | 102.4 |
| 16 (C) | 171.3 |
| 17 (CH2) | 106.8 |
| 18 (CH3) | 29 |
| 19 (C) | 182.8 |
| 20 (CH3) | 12.8 |
| 15a (CH3) | 56.9 |
