Common Name: Atractylenolactam
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H19NO/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(17)16-13/h8,12H,1,4-7H2,2-3H3,(H,16,17)/t12-,15+/m0/s1
InChIKey: InChIKey=RXTVBISZHPGQKT-SWLSCSKDSA-N
Formula: C15H18N1O1
Molecular Weight: 228.31012
Exact Mass: 228.138839
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)
Position | PPM |
---|---|
1 (CH2) | 39.6 |
2 (CH2) | 23.2 |
3 (CH2) | 36.3 |
4 (C) | 148.6 |
5 (CH) | 49 |
6 (CH2) | 22.3 |
7 (C) | 140.4 |
8 (C) | 146 |
9 (CH) | 119.5 |
10 (C) | 38.1 |
11 (C) | 124.3 |
12 (C) | 171 |
13 (CH3) | 8.4 |
14 (CH3) | 18.6 |
15 (CH2) | 107.2 |