Copalic acid

Copalic acid

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)

Carbon NMR Peaks

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