Common Name: ainsliatone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H18O4/c1-7-8-5-6-14(2)10(16)4-3-9(15)11(14)12(8)18-13(7)17/h8,10-12,16H,1,3-6H2,2H3/t8-,10+,11+,12-,14-/m0/s1
InChIKey: InChIKey=JSAHBXDTNKRVJO-OOQSSMQOSA-N
Formula: C14H18O4
Molecular Weight: 250.290856
Exact Mass: 250.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, Y., Xu, M.L., Jin, H.Z., Fu, J.J., Hu, X.J., Qin, J.J., Yan, S.K., Shen, Y.H., Zhang, W.D. Chin Chem Lett (2009) 20, 586-8
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 (CH) | 76.4 |
2 (CH2) | 30.5 |
3 (CH2) | 38.6 |
4 (C) | 206.3 |
5 (CH) | 58.4 |
6 (CH) | 76.6 |
7 (CH) | 48.9 |
8 (CH2) | 20.9 |
9 (CH2) | 36.1 |
10 (C) | 45.5 |
11 (C) | 117.2 |
12 (C) | 170.2 |
13 (CH2) | 138.3 |
14 (CH3) | 12.3 |