Common Name: Philippinamide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H31NO2/c1-19(2)18-23-22(24)13-11-9-7-5-4-6-8-10-12-20-14-16-21(25-3)17-15-20/h7,9-17,19H,4-6,8,18H2,1-3H3,(H,23,24)/b9-7+,12-10+,13-11+
InChIKey: InChIKey=IAWYRTFTWHDMDC-JPSRSCNUSA-N
Formula: C22H31N1O2
Molecular Weight: 341.487906
Exact Mass: 341.235479
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, Y.C., Liao, C.H., Chen, I.S. Phytochemistry (2007) 68, 2101-11
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Miscellanea; 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 (C) | 130.6 |
2 (CH) | 127 |
3 (CH) | 113.9 |
4 (C) | 158.6 |
5 (CH) | 113.9 |
6 (CH) | 127 |
7 (CH) | 129.3 |
8 (CH) | 128.5 |
9 (CH2) | 32.7 |
10 (CH2) | 28.6 |
11 (CH2) | 29 |
12 (CH2) | 32.8 |
13 (CH) | 128.4 |
14 (CH) | 142.8 |
15 (CH) | 141.2 |
16 (CH) | 121.8 |
17 (C) | 163.3 |
1' (CH2) | 46.9 |
2' (CH) | 28.3 |
3' (CH3) | 20.1 |
4' (CH3) | 20.1 |
4a (CH3) | 55.3 |