Spektraris NMR
KaempferoL-3-α-D-(6-O-trans-p-coumaryl)glucopyranoside
Common Name: KaempferoL-3-α-D-(6-O-trans-p-coumaryl)glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
InChIKey: InChIKey=DVGGLGXQSFURLP-VWMSDXGPSA-N
Formula: C30H26O13
Molecular Weight: 594.520801
Exact Mass: 594.137341
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Tsukamoto, S., Tomise, K., Aburatani, M., Onuki, H., Hirorta, H., Ishiharajima, E., Ohta, T. J Nat Prod (2004) 67, 1839-41
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) | 160.1 |
| 3 (C) | 136 |
| 4 (C) | 180.1 |
| 5 (C) | 163.7 |
| 6 (CH) | 101.1 |
| 7 (C) | 167.6 |
| 8 (CH) | 95.8 |
| 9 (C) | 159.3 |
| 10 (C) | 106.2 |
| 1' (C) | 123.6 |
| 2' (CH) | 133 |
| 3' (CH) | 116.8 |
| 4' (C) | 162.3 |
| 5' (CH) | 116.8 |
| 6' (CH) | 133 |
| 1'' (CH) | 104.9 |
| 2'' (CH) | 78.8 |
| 3'' (CH) | 76.5 |
| 4'' (CH) | 72.5 |
| 5'' (CH) | 76.6 |
| 6'' (CH2) | 65.1 |
| 1''' (C) | 169.6 |
| 2''' (CH) | 115.6 |
| 3''' (CH) | 147.4 |
| 4''' (C) | 127.9 |
| 5''' (CH) | 132 |
| 6''' (CH) | 117.6 |
| 7''' (C) | 162 |
| 8''' (CH) | 117.6 |
| 9''' (CH) | 132 |
