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)
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 |