Labda-8(17),13E/Z-dien-19-yl acetate

Labda-8(17),13E/Z-dien-19-yl acetate

Common Name: Labda-8(17),13E/Z-dien-19-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O2/c1-7-16(2)9-11-19-17(3)10-12-20-21(5,15-24-18(4)23)13-8-14-22(19,20)6/h7,19-20H,3,8-15H2,1-2,4-6H3/b16-7+/t19-,20-,21+,22+/m0/s1

InChIKey: InChIKey=CJSDTXHRIPBVAX-MWRKVXNSSA-N

Formula: C22H36O2

Molecular Weight: 332.520867

Exact Mass: 332.27153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Alvarez-Manzaneda Roldan, E., Romera Santiago, J.L., Chahboun, R. J Nat Prod (2006) 69, 563-6

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) 38.5
2 (CH2) 19
3 (CH2) 38.6
4 (C) 37.4
5 (CH) 56.3
6 (CH2) 22.2
7 (CH2) 36.3
8 (C) 148
9 (CH) 56.4
10 (C) 39.5
11 (CH2) 24.5
12 (CH2) 38.9
13 (C) 136.4
14 (CH) 118.1
15 (CH3) 13.4
16 (CH3) 15.3
17 (CH2) 106.7
18 (CH3) 27.6
19 (CH2) 66.9
20 (CH3) 12.5
19a (C) 171.4
19b (CH3) 21