1,3,15-Valparatriene

1,3,15-Valparatriene

Common Name: 1,3,15-Valparatriene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30/c1-14(2)16-9-13-20(5)17(16)10-12-19(4)11-8-15(3)6-7-18(19)20/h6,8,11,16-18H,1,7,9-10,12-13H2,2-5H3/t16-,17+,18+,19-,20+/m0/s1

InChIKey: InChIKey=OUYOWLFVZBXATE-MFKWGIFDSA-N

Formula: C20H30

Molecular Weight: 270.452941

Exact Mass: 270.234751

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Alonso, C., Oliva, I.M., Garrido, N.M., Martin, D.D., Lithgow, A.M. Tetrahedron (1993) 34, 4051-62

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Valparanes; 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 (CH) 145.1
2 (CH) 128.6
3 (C) 135.5
4 (CH) 121.6
5 (CH2) 29.4
6 (CH) 52.9
7 (C) 46
8 (CH) 54.7
9 (CH2) 21.4
10 (CH2) 43.3
11 (C) 41.4
12 (CH2) 41.6
13 (CH2) 27.3
14 (CH) 46.3
15 (C) 148.1
16 (CH2) 110.3
17 (CH3) 25.3
18 (CH3) 16.2
19 (CH3) 26
20 (CH3) 24.1