Spektraris NMR
Acacetin 6-C-[β-D-apiofuranosyl-(1-->3)-β-D-glucopyranoside
Common Name: Acacetin 6-C-[β-D-apiofuranosyl-(1-->3)-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O14/c1-37-12-4-2-11(3-5-12)15-6-13(30)18-16(39-15)7-14(31)19(21(18)33)23-22(34)24(20(32)17(8-28)40-23)41-26-25(35)27(36,9-29)10-38-26/h2-7,17,20,22-26,28-29,31-36H,8-10H2,1H3/t17-,20-,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey: InChIKey=YDMXOIDNIPFRHO-GBDVVCAXSA-N
Formula: C27H30O14
Molecular Weight: 578.519761
Exact Mass: 578.163556
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) | 165.6 |
| 3 (CH) | 104.3 |
| 4 (C) | 183.8 |
| 5 (C) | 162.1 |
| 6 (C) | 109.2 |
| 7 (C) | 165.6 |
| 8 (CH) | 95.5 |
| 9 (C) | 158.7 |
| 10 (C) | 105 |
| 1' (C) | 124.4 |
| 2' (CH) | 129.2 |
| 3' (CH) | 115.6 |
| 4' (C) | 164.4 |
| 5' (CH) | 115.6 |
| 6' (CH) | 129.2 |
| 1'' (CH) | 75.2 |
| 2'' (CH) | 72.4 |
| 3'' (CH) | 87.8 |
| 4'' (CH) | 70.2 |
| 5'' (CH) | 82.8 |
| 6'' (CH2) | 62.5 |
| 1''' (CH) | 112.2 |
| 2''' (CH) | 77.5 |
| 3''' (C) | 80.5 |
| 4''' (CH2) | 74.9 |
| 5''' (CH2) | 64.9 |
| 4'a (CH3) | 56.1 |
