trans-p-Coumaric acid 4-O-(2'-O- -d-apiofuranosyl)- -d-glucopyranoside

trans-p-Coumaric acid 4-O-(2'-O- -d-apiofuranosyl)- -d-glucopyranoside

Common Name: trans-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-TXPDJQHQSA-N

Formula: C20H26O12

Molecular Weight: 458.414037

Exact Mass: 458.142426

NMR Solvent: M+W

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) 131.86
2 (CH) 130.87
3 (CH) 118.2
4 (C) 159.82
5 (CH) 118.2
6 (CH) 130.87
7 (CH) 142.03
8 (CH) 124.23
9 (C) 176.03
1' (CH) 100.83
2' (CH) 79.8
3' (CH) 78.36
4' (CH) 71.4
5' (CH) 78.17
6' (CH2) 62.6
1'' (CH) 111.24
2'' (CH) 78.69
3'' (C) 81.28
4'' (CH2) 75.69
5'' (CH2) 65.96