Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O2/c1-10(2)14(16)8-6-11(3)13-7-5-12(4)15(17)9-13/h5,7,9,11,14,16-17H,1,6,8H2,2-4H3/t11-,14-/m1/s1

InChIKey: InChIKey=CDFYSXHPCPFPAR-BXUZGUMPSA-N

Formula: C15H22O2

Molecular Weight: 234.334545

Exact Mass: 234.16198

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Manguro, L.O., Ugi, I., Hermann, R., Lemmen, P Phytochemistry (2003) 63, 497-502

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) 114
2 (C) 154.2
3 (C) 121
4 (CH) 130.4
5 (CH) 118.8
6 (C) 146.8
7 (CH) 40
8 (CH2) 36
9 (CH2) 32.9
10 (CH) 77.2
11 (C) 147.3
12 (CH2) 112.4
13 (CH3) 17
14 (CH3) 21.8
15 (CH3) 20.4