3,5-dihydroxy-2-pentanoylphenyl beta-D-glucopyranoside

3,5-dihydroxy-2-pentanoylphenyl beta-D-glucopyranoside

Common Name: 3,5-dihydroxy-2-pentanoylphenyl beta-D-glucopyranoside

Synonyms: 3,5-dihydroxy-2-pentanoylphenyl beta-D-glucopyranoside

CAS Registry Number:

InChI: InChI=1S/C17H24O9/c1-2-3-4-9(20)13-10(21)5-8(19)6-11(13)25-17-16(24)15(23)14(22)12(7-18)26-17/h5-6,12,14-19,21-24H,2-4,7H2,1H3/t12-,14-,15+,16-,17-/m1/s1

InChIKey: InChIKey=ZVEZLHVYHCHUEI-USACIQFYSA-N

Formula: C17H24O9

Molecular Weight: 372.367733

Exact Mass: 372.142032

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Aziz Ur, R., Malik, A., Riaz, N., Ahmad, H., Nawaz, S.A., Choudhary, M.I. Chem Pharm Bull (2005) 53, 263-6

Species:

Notes: Family : Aromatics, Type : Phloroglucinols; 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) 106.6
2 (C) 161.9
3 (CH) 98.6
4 (C) 167.8
5 (CH) 95.5
6 (C) 166.2
1' (C) 206.9
2' (CH2) 34.5
3' (CH2) 24.8
4' (CH2) 28.2
5' (CH3) 12
1'' (CH) 101.5
2'' (CH) 74.8
3'' (CH) 78.2
4'' (CH) 71.1
5'' (CH) 78.2
6'' (CH2) 62.3