14-Hydroxy-15-norlabd-8(17)-en-19-oic acid methyl ester

14-Hydroxy-15-norlabd-8(17)-en-19-oic acid methyl ester

Common Name: 14-Hydroxy-15-norlabd-8(17)-en-19-oic acid methyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O3/c1-14(13-21)7-9-16-15(2)8-10-17-19(16,3)11-6-12-20(17,4)18(22)23-5/h14,16-17,21H,2,6-13H2,1,3-5H3/t14-,16+,17-,19-,20+/m1/s1

InChIKey: InChIKey=FYSWOGDQLZZJNN-YESPVIGUSA-N

Formula: C20H34O3

Molecular Weight: 322.482918

Exact Mass: 322.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1994) 37, 1109-14

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) 39.2
2 (CH2) 20
3 (CH2) 38.3
4 (C) 44.3
5 (CH) 56.4
6 (CH2) 26.2
7 (CH2) 38.8
8 (C) 149.2
9 (CH) 56.7
10 (C) 40.3
11 (CH2) 21.2
12 (CH2) 32.4
13 (CH) 36.4
14 (CH2) 68.1
16 (CH3) 16.9
17 (CH2) 106.3
18 (CH3) 28.8
19 (C) 177.8
20 (CH3) 12.5
19a (CH3) 51.1