Common Name: Parthenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1
InChIKey: InChIKey=IFXGCKRDLITNAU-JHSUYXJUSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ramesh, C., Ravindranath, N., Das, B., Prabhakar, A., Bharatam, J., Ravikumar, K., Kashinatham, A., McMorris, T.C. Phytochemistry (2003) 64, 841-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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)
Position | PPM |
---|---|
1 (CH) | 84.8 |
2 (CH) | 163.4 |
3 (CH) | 131.5 |
4 (C) | 211.1 |
5 (C) | 59.2 |
6 (CH) | 78.8 |
7 (CH) | 44.7 |
8 (CH2) | 28.4 |
9 (CH2) | 30.2 |
10 (CH) | 40 |
11 (C) | 140.5 |
12 (C) | 170.8 |
13 (CH2) | 121.6 |
14 (CH3) | 17.7 |
15 (CH3) | 18.2 |