6-Oxo-9,13-epoxylabda-14-ene-19-oic acid

6-Oxo-9,13-epoxylabda-14-ene-19-oic acid

Common Name: 6-Oxo-9,13-epoxylabda-14-ene-19-oic acid

Synonyms: 6-Oxo-9,13-epoxylabda-14-ene-19-oic acid

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-6-17(3)10-11-20(24-17)13(2)12-14(21)15-18(4,16(22)23)8-7-9-19(15,20)5/h6,13,15H,1,7-12H2,2-5H3,(H,22,23)/t13-,15-,17-,18-,19-,20+/m0/s1

InChIKey: InChIKey=CQHYBONGTJOUIK-WUZQERQMSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

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) 38.4
2 (CH2) 18
3 (CH2) 37.9
4 (C) 51
5 (CH) 62.2
6 (C) 221.9
7 (CH2) 46.7
8 (CH) 46.1
9 (C) 90.5
10 (C) 43.6
11 (CH2) 29.4
12 (CH2) 33.3
13 (C) 83.9
14 (CH) 143.9
15 (CH2) 111.6
16 (CH3) 28
17 (CH3) 18
18 (CH3) 27.5
19 (C) 176.6
20 (CH3) 18