2-Acetoxy-calamenene-14-carboxylic acid

2-Acetoxy-calamenene-14-carboxylic acid

Common Name: 2-Acetoxy-calamenene-14-carboxylic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H22O4/c1-9(2)12-5-6-13(17(19)20)15-8-16(21-11(4)18)10(3)7-14(12)15/h7-9,12-13H,5-6H2,1-4H3,(H,19,20)/t12-,13?/m0/s1

InChIKey: InChIKey=IWPYBYYIKMWWGA-UEWDXFNNSA-N

Formula: C17H22O4

Molecular Weight: 290.354827

Exact Mass: 290.151809

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Morimoto, M., Cantrell, C.L., Libous-Bailey, L., Duke, S.O. Phytochemistry (2009) 70, 69-74

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Calamenenes; 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 (C) 132.2
2 (CH) 123
3 (C) 147.1
4 (C) 128.8
5 (CH) 131.2
6 (C) 138.6
7 (CH) 43
8 (CH2) 21
9 (CH2) 24
10 (CH) 44.4
11 (CH) 31.1
12 (CH3) 21.4
13 (CH3) 17.5
14 (CH3) 16.3
15 (C) 180.7
3a (C) 169.7
3b (CH3) 20.4