ZINC14452264

ZINC14452264

Common Name: ZINC14452264

Synonyms: ZINC14452264

CAS Registry Number:

InChI: InChI=1S/C16H22O3/c1-10-6-5-7-15(3)9-16(18-4)13(8-12(10)15)11(2)14(17)19-16/h12H,1,5-9H2,2-4H3/t12-,15+,16-/m0/s1

InChIKey: InChIKey=JYNGEEVMOBHTOS-MAZHCROVSA-N

Formula: C16H22O3

Molecular Weight: 262.344686

Exact Mass: 262.156895

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cheng, Y.B., Chen, C.Y., Kuo, Y.H., Shen, Y.C. Chem Biodiversity (2009) 6, 1266-72

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) 41.3
2 (CH2) 22.3
3 (CH2) 36.7
4 (C) 148.6
5 (CH) 51.8
6 (CH2) 24.9
7 (C) 159.4
8 (C) 106.3
9 (CH2) 50
10 (C) 36
11 (C) 171.8
12 (C) 124.2
13 (CH3) 8.3
14 (CH3) 16.4
15 (CH2) 106.7
8a (CH3) 50.3