Spektraris NMR
Retamatrioside
Common Name: Retamatrioside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O20/c1-45-13-6-15(37)20-17(7-13)49-26(12-3-4-14(36)16(5-12)46-2)27(23(20)40)52-31-28(53-32-29(43)33(44,10-35)11-48-32)22(39)19(51-31)9-47-30-25(42)24(41)21(38)18(8-34)50-30/h3-7,18-19,21-22,24-25,28-32,34-39,41-44H,8-11H2,1-2H3/t18-,19-,21-,22-,24+,25-,28+,29+,30-,31-,32+,33-/m1/s1
InChIKey: InChIKey=KVSUVYZMSXVWNS-YNHUXGOTSA-N
Formula: C33H40O20
Molecular Weight: 756.660013
Exact Mass: 756.211294
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Martin-Cordero, C., Lopez-Lazaro, M., Espartero, J.L., Ayuso, M.J. J Nat Prod (2000) 63, 248-50
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) | 156.3 |
| 3 (C) | 133.6 |
| 4 (C) | 177.8 |
| 5 (C) | 160.8 |
| 6 (CH) | 97.9 |
| 7 (C) | 165.2 |
| 8 (CH) | 92.4 |
| 9 (C) | 157 |
| 10 (C) | 105 |
| 1' (C) | 120.7 |
| 2' (CH) | 112.6 |
| 3' (C) | 147.2 |
| 4' (C) | 149.6 |
| 5' (CH) | 115.4 |
| 6' (CH) | 122.9 |
| 1'' (CH) | 106.2 |
| 2'' (CH) | 87.8 |
| 3'' (CH) | 76.2 |
| 4'' (CH) | 83.4 |
| 5'' (CH2) | 67.8 |
| 1''' (CH) | 108 |
| 2''' (CH) | 76 |
| 3''' (C) | 78.6 |
| 4''' (CH2) | 73.5 |
| 5''' (CH2) | 63 |
| 1'''' (CH) | 102.7 |
| 2'''' (CH) | 73.2 |
| 3'''' (CH) | 76.6 |
| 4'''' (CH) | 70 |
| 5'''' (CH) | 76.7 |
| 6'''' (CH2) | 61 |
| 7a (CH3) | 56.1 |
| 3'a (CH3) | 55.7 |
