Common Name: Alopecuquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H18O8/c15-5-1-2-6(16)10-9(5)13(21)11(19)7(17)3-4-8(18)12(20)14(10)22/h1-2,7-8,11-14,17-22H,3-4H2/t7-,8+,11-,12+,13+,14-
InChIKey: InChIKey=VXCGGFJHRBXLTA-RAJIDBTKSA-N
Formula: C14H18O8
Molecular Weight: 314.288476
Exact Mass: 314.100168
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Nassar, M.I., Abdel-Razik, A.F., El-Khrisy Eel, D., Dawidar, A.A., Bystrom, A., Mabry, T.J. Phytochemistry (2002) 60, 385-7
Species:
Notes: Family : Aromatics, Type : Benzoquinones; 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) | 168.1 |
2 (CH) | 138.7 |
3 (CH) | 138.7 |
4 (C) | 168.1 |
5 (CH) | 65.5 |
6 (CH) | 70.4 |
7 (CH) | 66.9 |
8 (CH2) | 29.9 |
9 (CH2) | 29.9 |
10 (CH) | 66.9 |
11 (CH) | 70.4 |
12 (CH) | 65.5 |
13 (C) | 128.5 |
14 (C) | 128.5 |