Alopecuquinone

Alopecuquinone

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)

Carbon NMR Peaks

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