(13E)-19-Hydroxylabda-8(20),13-diene-15-oic acid methyl ester

(13E)-19-Hydroxylabda-8(20),13-diene-15-oic acid methyl ester

Common Name: (13E)-19-Hydroxylabda-8(20),13-diene-15-oic acid methyl ester

Synonyms: (13E)-19-Hydroxylabda-8(20),13-diene-15-oic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H34O3/c1-15(13-19(23)24-5)7-9-17-16(2)8-10-18-20(3,14-22)11-6-12-21(17,18)4/h13,17-18,22H,2,6-12,14H2,1,3-5H3/b15-13+/t17-,18-,20+,21+/m0/s1

InChIKey: InChIKey=BJANWPXNKOLWEW-ZYUPRGTISA-N

Formula: C21H34O3

Molecular Weight: 334.493654

Exact Mass: 334.250795

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) 38
2 (CH2) 19
3 (CH2) 35.4
4 (C) 39.6
5 (CH) 56.3
6 (CH2) 24.5
7 (CH2) 38
8 (C) 147.8
9 (CH) 56.3
10 (C) 38.9
11 (CH2) 21.7
12 (CH2) 38
13 (C) 160.9
14 (CH) 115
15 (C) 167.3
16 (CH3) 18.9
17 (CH2) 106.7
18 (CH3) 27.1
19 (CH2) 65.1
20 (CH3) 15.3
15a (CH3) 50.7