(-)-cis-beta-Elemene

(-)-cis-beta-Elemene

Common Name: (-)-cis-beta-Elemene

Synonyms: (-)-cis-beta-Elemene

CAS Registry Number:

InChI: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15+/m1/s1

InChIKey: InChIKey=OPFTUNCRGUEPRZ-ILXRZTDVSA-N

Formula: C15H24

Molecular Weight: 204.351617

Exact Mass: 204.187801

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Adio, A.M., Paul, C., Kloth, P., Konig, W.A. Phytochemistry (2004) 65, 199-206

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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) 143.27
2 (CH2) 112.9
3 (CH2) 113.35
4 (C) 147.2
5 (CH) 56.24
6 (CH2) 33.76
7 (CH) 46.48
8 (CH2) 28.02
9 (CH2) 42.23
10 (C) 39.45
11 (C) 150.29
12 (CH3) 21.38
13 (CH2) 109.09
14 (CH3) 27.81
15 (CH3) 22.89