(13E)-8-Oxo-20-norlabd-13-en-15-oic acid ethyl ester

(13E)-8-Oxo-20-norlabd-13-en-15-oic acid ethyl ester

Common Name: (13E)-8-Oxo-20-norlabd-13-en-15-oic acid ethyl ester

Synonyms: (13E)-8-Oxo-20-norlabd-13-en-15-oic acid ethyl ester

CAS Registry Number:

InChI: InChI=1S/C21H34O3/c1-6-24-19(23)14-15(2)8-9-16-17(22)10-11-18-20(3,4)12-7-13-21(16,18)5/h14,16,18H,6-13H2,1-5H3/b15-14+/t16-,18-,21+/m0/s1

InChIKey: InChIKey=SFGNAWSMGZOKIV-JGLDRTCZSA-N

Formula: C21H34O3

Molecular Weight: 334.493654

Exact Mass: 334.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - van Wyk, A.W.W., Davies-Coleman, M.T. Tetrahedron (2007) 63, 12179-84

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) 39.3
2 (CH2) 19
3 (CH2) 41.9
4 (C) 33.7
5 (CH) 54.3
6 (CH2) 24.1
7 (CH2) 42.6
8 (C) 211.7
9 (CH) 63.2
10 (C) 42.6
11 (CH2) 19.6
12 (CH2) 40.2
13 (C) 160.1
14 (CH) 115.7
15 (C) 166.8
16 (CH3) 18.7
18 (CH3) 33.5
19 (CH3) 21.7
20 (CH3) 14.7
15a (CH2) 59.4
15b (CH3) 14.3