Spektraris NMR
Nigrolineaisoflavone A
Common Name: Nigrolineaisoflavone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C13H12O6/c14-6-3-9(16)11-10(4-6)19-5-7(12(11)17)13-8(15)1-2-18-13/h3-5,8,13-16H,1-2H2/t8-,13+/m0/s1
InChIKey: InChIKey=QDTZHTJSNHSYDA-ISVAXAHUSA-N
Formula: C13H12O6
Molecular Weight: 264.231285
Exact Mass: 264.063388
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Kamkaew, M., Sukavisit, D., Phongpaichit, S., Sawangchote, P., Taylor, W.C. J Nat Prod (2003) 66, 1531-5
Species:
Notes: Family : Chromans, Type : Chromones; 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 |
|---|---|
| 2 (CH) | 155.1 |
| 3 (C) | 124.1 |
| 4 (C) | 183 |
| 5 (C) | 164.2 |
| 6 (CH) | 100.4 |
| 7 (C) | 166.2 |
| 8 (CH) | 95 |
| 9 (C) | 160.1 |
| 10 (C) | 106.1 |
| 1' (CH) | 83 |
| 2' (CH) | 76.8 |
| 3' (CH2) | 34.4 |
| 4' (CH2) | 68.3 |
