Common Name: Copalic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,20+/m1/s1
InChIKey: InChIKey=JFQBNOIJWROZGE-HPMXROJMSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cavin, A.L., Hay, A.E., Marston, A., Stoeckli-Evans, H., Scopelliti, R., Diallo, D., Hostettmann, K. J Nat Prod (2006) 69, 768-73
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)
Position | PPM |
---|---|
1 (CH2) | 39.1 |
2 (CH2) | 19.4 |
3 (CH2) | 42.1 |
4 (C) | 33.6 |
5 (CH) | 55.5 |
6 (CH2) | 24.5 |
7 (CH2) | 38.3 |
8 (C) | 148.3 |
9 (CH) | 56.2 |
10 (C) | 39.7 |
11 (CH2) | 21.5 |
12 (CH2) | 40.1 |
13 (C) | 164.3 |
14 (CH) | 114.6 |
15 (C) | 171.8 |
16 (CH3) | 19.2 |
17 (CH2) | 106.4 |
18 (CH3) | 33.6 |
19 (CH3) | 21.7 |
20 (CH3) | 14.5 |