(S)-2-oxo-p-menth-3-ene-1-butyric methyl ester

(S)-2-oxo-p-menth-3-ene-1-butyric methyl ester

Common Name: (S)-2-oxo-p-menth-3-ene-1-butyric methyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O3/c1-11(16)5-4-7-14(2)8-6-12(9-13(14)17)15(3)10-18-15/h9H,4-8,10H2,1-3H3/t14-,15+/m1/s1

InChIKey: InChIKey=JZHWUIDHNLXJIY-CABCVRRESA-N

Formula: C15H22O3

Molecular Weight: 250.33395

Exact Mass: 250.156895

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Xu, J.J., Tan, N.H., Xiong, J., Adebayo, A.H., Han, H.J., Zeng, G.Z., Ji, C.J., Zhang, Y.M., Zhu, M.J. Chin Chem Lett (2009) 20, 945-8

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) 35.94
2 (CH2) 18.11
3 (CH2) 43.89
4 (C) 208.72
5 (C) 203.65
6 (CH) 124.8
7 (C) 161
8 (CH2) 21.56
9 (CH2) 32.9
10 (C) 43.53
11 (C) 56.43
12 (CH3) 19.73
13 (CH2) 54.09
14 (CH3) 21.65
15 (CH3) 29.85