(13E)-Labda-13-ene-15-oic acid methyl ester

(13E)-Labda-13-ene-15-oic acid methyl ester

Common Name: (13E)-Labda-13-ene-15-oic acid methyl ester

Synonyms: (13E)-Labda-13-ene-15-oic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H36O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h14,16-18H,7-13H2,1-6H3/b15-14+/t16-,17-,18-,21+/m0/s1

InChIKey: InChIKey=KUFCXCJOXPZWCV-FORAKQBMSA-N

Formula: C21H36O2

Molecular Weight: 320.510131

Exact Mass: 320.27153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mebe, P.P. Phytochemistry (2001) 57, 537-41

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) 34.64
2 (CH2) 18.17
3 (CH2) 30.11
4 (C) 29.95
5 (CH) 48.83
6 (CH2) 41.64
7 (CH2) 18.01
8 (CH) 38.97
9 (CH) 55.32
10 (C) 42.7
11 (CH2) 25.51
12 (CH2) 32.52
13 (C) 147.64
14 (CH) 115.03
15 (C) 183.67
16 (CH3) 27.84
17 (CH3) 21.03
18 (CH3) 33.21
19 (CH3) 20.47
20 (CH3) 17.42
15a (CH3) 50.79