Common Name: Aristelegone-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H14O2/c1-7-3-4-11(13)10-5-8(2)12(14)6-9(7)10/h5-7,14H,3-4H2,1-2H3/t7-/m1/s1
InChIKey: InChIKey=BYOIVWRPJQKGMQ-SSDOTTSWSA-N
Formula: C12H14O2
Molecular Weight: 190.238811
Exact Mass: 190.09938
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, T.S., Tsai, Y.L., Damu, A.G., Kuo, P.C., Wu, P.L. J Nat Prod (2002) 65, 1522-5
Species:
Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthalenes; 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) | 199 |
2 (CH2) | 36.2 |
3 (CH2) | 30.8 |
4 (CH) | 32.6 |
5 (CH) | 122.9 |
6 (C) | 160.3 |
7 (C) | 124.5 |
8 (CH) | 130.7 |
9 (C) | 123.4 |
10 (C) | 149.9 |
4a (CH3) | 20.4 |
7a (CH3) | 15.4 |