Spektraris NMR
pseudopteradienoic acid
Common Name: pseudopteradienoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O5/c1-10(2)12-5-6-13-8-16(25-20(13)23)18(11(3)4)17-9-14(19(21)22)15(7-12)24-17/h5-6,8-9,12,16,18H,1,3,7H2,2,4H3,(H,21,22)/b6-5-/t12-,16-,18-/m1/s1
InChIKey: InChIKey=CJEQTQLEUNXVAT-UVOLWDLJSA-N
Formula: C20H20O5
Molecular Weight: 340.370558
Exact Mass: 340.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Soto, J.J. Chem Pharm Bull (1996) 44, 91-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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 (CH) | 49.6 |
| 2 (CH2) | 29.9 |
| 3 (C) | 163.2 |
| 4 (C) | 115.1 |
| 5 (CH) | 111.6 |
| 6 (C) | 150.5 |
| 7 (CH) | 42.9 |
| 8 (CH) | 79.8 |
| 9 (CH) | 145.5 |
| 10 (C) | 131.9 |
| 11 (CH) | 118.8 |
| 12 (CH) | 137.7 |
| 13 (C) | 146.8 |
| 14 (CH2) | 110.3 |
| 15 (CH3) | 21.5 |
| 16 (C) | 168.5 |
| 17 (C) | 140.3 |
| 18 (CH2) | 115.2 |
| 19 (CH3) | 21.5 |
| 20 (C) | 171.8 |
