19-Norlabda-8(20),13-dien-15-oic acid methyl ester

19-Norlabda-8(20),13-dien-15-oic acid methyl ester

Common Name: 19-Norlabda-8(20),13-dien-15-oic acid methyl ester

Synonyms: 19-Norlabda-8(20),13-dien-15-oic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C20H32O2/c1-14(13-19(21)22-5)8-10-17-16(3)9-11-18-15(2)7-6-12-20(17,18)4/h13,15,17-18H,3,6-12H2,1-2,4-5H3/b14-13+/t15-,17+,18+,20-/m1/s1

InChIKey: InChIKey=LPQVUBJCZZGCEQ-QPCLJXCXSA-N

Formula: C20H32O2

Molecular Weight: 304.467632

Exact Mass: 304.24023

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bastard, J., Duc, D.K., Fetizon, M., Francis, M.J., Grant, P.K., Weavers, R.T., Kaneko, C., Baddeley, G.V., Bernassau, J.M., Burfitt, I.R., Wovkulich, P.M., Wenkert, E. J Nat Prod (1984) 47, 592-9

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) 37.6
2 (CH2) 21.5
3 (CH2) 36
4 (CH) 31.4
5 (CH) 53.1
6 (CH2) 27
7 (CH2) 38.3
8 (C) 148
9 (CH) 54.2
10 (C) 39.3
11 (CH2) 22
12 (CH2) 39.6
13 (C) 160.7
14 (CH) 114.7
15 (C) 167
16 (CH3) 18.6
17 (CH2) 106.4
18 (CH3) 20.3
20 (CH3) 12.6
15a (CH3) 50.7