SCHEMBL10044100

SCHEMBL10044100

Common Name: SCHEMBL10044100

Synonyms: SCHEMBL10044100

CAS Registry Number:

InChI: InChI=1S/C14H19NO3/c1-2-3-4-13(17)14(18)15-10-9-11-5-7-12(16)8-6-11/h5-8,16H,2-4,9-10H2,1H3,(H,15,18)

InChIKey: InChIKey=BMDGFCKHQTUMPC-UHFFFAOYSA-N

Formula: C14H19N1O3

Molecular Weight: 249.306135

Exact Mass: 249.136493

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jones, T.H., Garraffo, H.M., Spande, T.F., Andriamaharavo, N.R., Gorman, J.S., Snyder, A.J., Jeter, A.W., Torres, J.A., Snelling, R.R., Daly, J.W. J Nat Prod (2010) 73, 313-6

Species:

Notes: Family : Alkaloids, Type : Tyramines; 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) 128.84
2 (CH) 128.84
3 (CH) 114.63
4 (C) 153.71
5 (CH) 114.63
6 (CH) 128.84
7 (CH2) 33.49
8 (CH2) 35.44
1' (C) 159.17
2' (C) 198.18
3' (CH2) 39.72
4' (CH2) 24.2
5' (CH2) 21.15
6' (CH3) 12.79