4-Allyl-2-hydroxyphenyl 1-O-β -D-Apiosyl-(1-->6)-β-D-glucopyranoside

4-Allyl-2-hydroxyphenyl 1-O-β -D-Apiosyl-(1-->6)-β-D-glucopyranoside

Common Name: 4-Allyl-2-hydroxyphenyl 1-O-β -D-Apiosyl-(1-->6)-β-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O11/c1-2-3-10-4-5-12(11(22)6-10)30-18-16(25)15(24)14(23)13(31-18)7-28-19-17(26)20(27,8-21)9-29-19/h2,4-6,13-19,21-27H,1,3,7-9H2/t13-,14-,15+,16-,17-,18-,19-,20+/m1/s1

InChIKey: InChIKey=ORBFTTLMHAJFIV-QXXRKKQISA-N

Formula: C20H28O11

Molecular Weight: 444.430513

Exact Mass: 444.163162

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yamauchi, H., Kakuda, R., Yaoita, Y., Machida, K., Kikuchi, M. Chem Pharm Bull (2007) 55, 346-7

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) 136.7
2 (CH) 119.2
3 (C) 148.3
4 (C) 146.3
5 (CH) 110.2
6 (CH) 121.1
7 (CH2) 40.6
8 (CH) 139
9 (CH2) 115.7
1' (CH) 102
2' (CH) 75
3' (CH) 78
4' (CH) 71.6
5' (CH) 77.1
6' (CH2) 68.4
1'' (CH) 110.9
2'' (CH) 77.6
3'' (C) 80.5
4'' (CH2) 74.9
5'' (CH2) 65.6