Common Name: Illioliganone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H18O4/c1-4-5-8-6-14(18)7-9(15)13(2,3)10(11(8)16)12(14)17/h4,6,9-10,15,18H,1,5,7H2,2-3H3/t9-,10?,14+/m1/s1
InChIKey: InChIKey=LIYISVHVFBWRLD-YMNNPKDXSA-N
Formula: C14H18O4
Molecular Weight: 250.290856
Exact Mass: 250.120509
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Tang, W.Z., Ma, S.G., Yu, S.S., Qu, J., Liu, Y.B., Liu, J. J Nat Prod (2009) 72, 1017-21
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 140.1 |
2 (CH) | 149.4 |
3 (C) | 77.7 |
4 (C) | 204.4 |
5 (CH) | 73.7 |
6 (C) | 195.4 |
7 (CH2) | 33.2 |
8 (CH) | 135.5 |
9 (CH2) | 117.5 |
1' (CH2) | 42.2 |
2' (CH) | 71.2 |
3' (C) | 44.3 |
4' (CH3) | 25.1 |
5' (CH3) | 19.1 |