Spektraris NMR
3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-alpha-L-mannopyranoside
![3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-alpha-L-mannopyranoside](/nmr/static/nmr/svg/18485.svg)
Common Name: 3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-alpha-L-mannopyranoside
Synonyms: 3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-alpha-L-mannopyranoside
CAS Registry Number:
InChI: InChI=1S/C30H26O12/c1-14-24(35)26(37)29(42-22(34)11-4-15-2-7-17(31)8-3-15)30(39-14)40-19-12-20(33)23-21(13-19)41-28(27(38)25(23)36)16-5-9-18(32)10-6-16/h2-14,24,26,29-33,35,37-38H,1H3/b11-4+/t14-,24-,26+,29+,30-/m0/s1
InChIKey: InChIKey=XUUODWXANHZAFB-OKOXDJDNSA-N
Formula: C30H26O12
Molecular Weight: 578.521396
Exact Mass: 578.142426
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ho, J.C., Chen, C.M., Row, L.C. J Nat Prod (2005) 68, 1773-5
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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 |
|---|---|
| 2 (C) | 158.3 |
| 3 (C) | 135.3 |
| 4 (C) | 179.3 |
| 5 (C) | 163.2 |
| 6 (CH) | 100.1 |
| 7 (C) | 166 |
| 8 (CH) | 95 |
| 9 (C) | 158.8 |
| 10 (C) | 105.8 |
| 1' (C) | 122.5 |
| 2' (CH) | 131.9 |
| 3' (CH) | 116.8 |
| 4' (C) | 161.2 |
| 5' (CH) | 116.8 |
| 6' (CH) | 131.9 |
| 1'' (CH) | 100 |
| 2'' (CH) | 71.9 |
| 3'' (CH) | 72.9 |
| 4'' (CH) | 70.8 |
| 5'' (CH) | 72.8 |
| 6'' (CH3) | 18.2 |
| 2''a (C) | 167.3 |
| 2''b (CH) | 115.5 |
| 2''c (CH) | 146.5 |
| 2''d (C) | 127 |
| 2''e (CH) | 131.4 |
| 2''f (CH) | 117 |
| 2''g (C) | 161.5 |
| 2''h (CH) | 117 |
| 2''i (CH) | 131.4 |
