Spektraris NMR
cis-p-Coumaric acid 4-O-(2'-O- -d-apiofuranosyl)- -d-glucopyranoside
Common Name: cis-p-Coumaric acid 4-O-(2'-O- -d-apiofuranosyl)- -d-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O12/c21-7-12-14(25)15(26)16(32-19-17(27)20(28,8-22)9-29-19)18(31-12)30-11-4-1-10(2-5-11)3-6-13(23)24/h1-6,12,14-19,21-22,25-28H,7-9H2,(H,23,24)/b6-3-/t12-,14-,15+,16-,17+,18-,19+,20-/m1/s1
InChIKey: InChIKey=DAVWDWCHQLSZAZ-FPOVMGTPSA-N
Formula: C20H26O12
Molecular Weight: 458.414037
Exact Mass: 458.142426
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Lu, Y., Foo, L.Y. Phytochemistry (2000) 55, 263-7
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 131.49 |
| 2 (CH) | 130.18 |
| 3 (CH) | 116.46 |
| 4 (C) | 156.49 |
| 5 (CH) | 116.46 |
| 6 (CH) | 130.18 |
| 7 (CH) | 130.18 |
| 8 (CH) | 126.31 |
| 9 (C) | 177.67 |
| 1' (CH) | 99.15 |
| 2' (CH) | 79.04 |
| 3' (CH) | 76.46 |
| 4' (CH) | 69.68 |
| 5' (CH) | 76.22 |
| 6' (CH2) | 60.95 |
| 1'' (CH) | 109.82 |
| 2'' (CH) | 77.36 |
| 3'' (C) | 79.88 |
| 4'' (CH2) | 74.2 |
| 5'' (CH2) | 64.24 |
