Atractylenolactam

Atractylenolactam

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)

Carbon NMR Peaks

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