Spektraris NMR
34199-21-8
Common Name: 34199-21-8
Synonyms: 34199-21-8
CAS Registry Number:
InChI: InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-12-5-8(23)4-11-14(12)16(27)18(29)20(31-11)7-1-2-9(24)10(25)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
InChIKey: InChIKey=QJTYCCFDQWFJHU-HMGRVEAOSA-N
Formula: C21H20O12
Molecular Weight: 464.377128
Exact Mass: 464.095476
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Tamura, Y., Nakajima, K., Nagayasu, K., Takabayashi, C. Phytochemistry (2002) 59, 275-8
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) | 143.5 |
| 3 (C) | 137.2 |
| 4 (C) | 171.7 |
| 5 (C) | 158.4 |
| 6 (CH) | 103.1 |
| 7 (C) | 162.4 |
| 8 (CH) | 97.3 |
| 9 (C) | 157.1 |
| 10 (C) | 106.3 |
| 1' (C) | 122 |
| 2' (CH) | 114.7 |
| 3' (C) | 145 |
| 4' (C) | 147.3 |
| 5' (CH) | 115.6 |
| 6' (CH) | 119.5 |
| 1'' (CH) | 103.9 |
| 2'' (CH) | 73.7 |
| 3'' (CH) | 75.7 |
| 4'' (CH) | 69.7 |
| 5'' (CH) | 77.5 |
| 6'' (CH2) | 60.8 |
