Spektraris NMR
O-Methylpisiferic acid methyl ester
Common Name: O-Methylpisiferic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-14(2)16-12-15-8-9-19-21(3,4)10-7-11-22(19,20(23)25-6)17(15)13-18(16)24-5/h12-14,19H,7-11H2,1-6H3/t19-,22-/m0/s1
InChIKey: InChIKey=OTVSVVDNOOVYKN-UGKGYDQZSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ulubelen, A., Oksuz, S., Topcu, G., Goren, A.C., Voelter, W. J Nat Prod (2001) 64, 549-51
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 29.3 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 36.8 |
| 4 (C) | 34.9 |
| 5 (CH) | 52 |
| 6 (CH2) | 20.3 |
| 7 (CH2) | 41.7 |
| 8 (C) | 136.5 |
| 9 (C) | 128.5 |
| 10 (C) | 47.6 |
| 11 (CH) | 127 |
| 12 (C) | 156 |
| 13 (C) | 138 |
| 14 (CH) | 107.4 |
| 15 (CH) | 33.1 |
| 16 (CH3) | 22.4 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 20.2 |
| 19 (CH3) | 26.4 |
| 20 (C) | 180 |
| 12a (CH3) | 55.4 |
| 20a (CH3) | 52.4 |
