9,13-Epoxylabda-14-ene-19-oic acid

9,13-Epoxylabda-14-ene-19-oic acid

Common Name: 9,13-Epoxylabda-14-ene-19-oic acid

Synonyms: 9,13-Epoxylabda-14-ene-19-oic acid

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-6-17(3)12-13-20(23-17)14(2)8-9-15-18(4,16(21)22)10-7-11-19(15,20)5/h6,14-15H,1,7-13H2,2-5H3,(H,21,22)/t14-,15-,17-,18-,19-,20+/m0/s1

InChIKey: InChIKey=AAPJXXBZLAKZSR-ULFLFZEMSA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Roman, L.U., Cambron, J.I., del Rio, R.E., Hernandez, J.D., Cerda-Garcia-Rojas, C.M., Joseph-Nathan, P. J Nat Prod (2000) 63, 226-9

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) 37.9
2 (CH2) 18.4
3 (CH2) 37.6
4 (C) 44
5 (CH) 49.9
6 (CH2) 29.2
7 (CH2) 18.8
8 (CH) 40.2
9 (C) 92.4
10 (C) 42.6
11 (CH2) 29.8
12 (CH2) 33.1
13 (C) 82.6
14 (CH) 145.2
15 (CH2) 110.7
16 (CH3) 27.9
17 (CH3) 17.8
18 (CH3) 28.9
19 (C) 181.8
20 (CH3) 16.2