Spektraris NMR
Abacopterin C
Common Name: Abacopterin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O9/c1-10-18(26)11(2)22-17-15(31-23-20(28)19(27)16(9-25)32-24(23)33-22)8-14(30-21(10)17)12-4-6-13(29-3)7-5-12/h4-7,14-16,19-20,23-28H,8-9H2,1-3H3/t14-,15-,16-,19-,20+,23-,24+/m0/s1
InChIKey: InChIKey=BVWNFYIRLQDZHV-AISOYTFTSA-N
Formula: C24H28O9
Molecular Weight: 460.474647
Exact Mass: 460.173332
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhao, Z., Ruan, J., Jin, J., Zou, J., Zhou, D., Fang, W., Zeng, F. J Nat Prod (2006) 69, 265-8
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 76 |
| 3 (CH2) | 37.3 |
| 4 (CH) | 72.1 |
| 5 (C) | 151.1 |
| 6 (C) | 110 |
| 7 (C) | 153.4 |
| 8 (C) | 107.9 |
| 9 (C) | 151.5 |
| 10 (C) | 112.4 |
| 1' (C) | 132.7 |
| 2' (CH) | 127.5 |
| 3' (CH) | 113.8 |
| 4' (C) | 159 |
| 5' (CH) | 113.8 |
| 6' (CH) | 127.5 |
| 1'' (CH) | 101.7 |
| 2'' (CH) | 85.6 |
| 3'' (CH) | 73.8 |
| 4'' (CH) | 69.6 |
| 5'' (CH) | 77.9 |
| 6'' (CH2) | 60.6 |
| 6a (CH3) | 9.5 |
| 8a (CH3) | 8.9 |
| 4'a (CH3) | 55.1 |
