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)
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 |