Spektraris NMR
Horridin
Common Name: Horridin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O15/c1-8-17(32)20(35)22(37)26(38-8)42-25-21(36)18(33)9(2)39-27(25)41-24-19(34)16-14(31)6-11(28)7-15(16)40-23(24)10-3-4-12(29)13(30)5-10/h3-9,17-18,20-22,25-33,35-37H,1-2H3/t8-,9-,17-,18-,20+,21+,22+,25+,26-,27-/m0/s1
InChIKey: InChIKey=SEEGVLYKLLCFTK-AQNZCLFOSA-N
Formula: C27H30O15
Molecular Weight: 594.519166
Exact Mass: 594.15847
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Flamini, G., Bulleri, C., Morelli, I., Manunta, A. J Nat Prod (2000) 63, 662-3
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) | 156.5 |
| 3 (C) | 133.8 |
| 4 (C) | 178.2 |
| 5 (C) | 161.3 |
| 6 (CH) | 99 |
| 7 (C) | 164.4 |
| 8 (CH) | 94.4 |
| 9 (C) | 156.8 |
| 10 (C) | 104.1 |
| 1' (C) | 122.2 |
| 2' (CH) | 115.7 |
| 3' (C) | 145 |
| 4' (C) | 148.6 |
| 5' (CH) | 116.3 |
| 6' (CH) | 122 |
| 1'' (CH) | 100.3 |
| 2'' (CH) | 76.4 |
| 3'' (CH) | 70 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 70.4 |
| 6'' (CH3) | 17.7 |
| 1''' (CH) | 70.2 |
| 2''' (CH) | 70.5 |
| 3''' (CH) | 17.4 |
| 4''' (CH) | 101.5 |
| 5''' (CH) | 71.9 |
| 6''' (CH3) | 69.6 |
