Spektraris NMR
grewin
Common Name: grewin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H16O8/c1-24-15-6-10(4-11(21)18(15)23)19-16(8-20)25-14-7-12-9(5-13(14)27-19)2-3-17(22)26-12/h2-7,16,19-21,23H,8H2,1H3/t16-,19-/m0/s1
InChIKey: InChIKey=VGZRCMZZGCYWKJ-LPHOPBHVSA-N
Formula: C19H16O8
Molecular Weight: 372.326274
Exact Mass: 372.084517
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ma, C., Zhang, H.J., Tan, G.T., Hung, N.V., Cuong, N.M., Soejarto, D.D., Fong, H.H. J Nat Prod (2006) 69, 346-50
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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 (C) | 161.5 |
| 3 (CH) | 114.7 |
| 4 (CH) | 144.1 |
| 5 (CH) | 115.3 |
| 6 (C) | 142.1 |
| 7 (C) | 148.6 |
| 8 (CH) | 105.4 |
| 9 (C) | 150.1 |
| 10 (C) | 113.8 |
| 1' (C) | 127.6 |
| 2' (CH) | 104.2 |
| 3' (C) | 150.2 |
| 4' (C) | 137.5 |
| 5' (C) | 148.9 |
| 6' (CH) | 110.7 |
| 7' (CH) | 78.6 |
| 8' (CH) | 80.2 |
| 9' (CH2) | 61.9 |
| 3'a (CH3) | 56.7 |
