Spektraris NMR
Acacetin 8-C-[α-L-rhamnopyranosyl-(1-->3)-β-D-glucopyranoside
Common Name: Acacetin 8-C-[α-L-rhamnopyranosyl-(1-->3)-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O14/c1-10-20(33)22(35)23(36)28(39-10)42-27-21(34)17(9-29)41-26(24(27)37)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3/t10-,17+,20-,21+,22+,23+,24-,26-,27-,28-/m0/s1
InChIKey: InChIKey=ROHFXZVXVOFJHV-WLEPCZSSSA-N
Formula: C28H32O14
Molecular Weight: 592.546378
Exact Mass: 592.179206
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Aquino, R., Morelli, S., Lauro, M.R., Abdo, S., Saija, A., Tomaino, A. J Nat Prod (2001) 64, 1019-23
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 165.2 |
| 3 (CH) | 104.3 |
| 4 (C) | 183.6 |
| 5 (C) | 162.1 |
| 6 (CH) | 99.2 |
| 7 (C) | 165.9 |
| 8 (C) | 105.1 |
| 9 (C) | 157.5 |
| 10 (C) | 104.8 |
| 1' (C) | 124.4 |
| 2' (CH) | 129.3 |
| 3' (CH) | 115.8 |
| 4' (C) | 164.4 |
| 5' (CH) | 115.8 |
| 6' (CH) | 129.3 |
| 1'' (CH) | 75.3 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 87.1 |
| 4'' (CH) | 70.4 |
| 5'' (CH) | 82.6 |
| 6'' (CH2) | 62.8 |
| 1''' (CH) | 103 |
| 2''' (CH) | 72.2 |
| 3''' (CH) | 72.4 |
| 4''' (CH) | 74 |
| 5''' (CH) | 70.1 |
| 6''' (CH3) | 17.9 |
| 4'a (CH3) | 56.2 |
