Spektraris NMR
Artoindonesianin S
Common Name: Artoindonesianin S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O7/c1-9(2)11-7-12-20(25)18-13(23)5-10(27-3)6-15(18)29-22(12)19-14(24)8-16(28-4)21(26)17(11)19/h5-6,8,11,23-24,26H,1,7H2,2-4H3
InChIKey: InChIKey=QTSYIEYGKIGDKF-UHFFFAOYSA-N
Formula: C22H20O7
Molecular Weight: 396.390839
Exact Mass: 396.120903
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Syah Y.M., Achmad S.A., Ghisalberti E.L., Hakim E.H., Makmur L., Mujahidin D. Phytochemistry (2002) 61, 949-53
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) | 161.4 |
| 3 (C) | 112.1 |
| 4 (C) | 181 |
| 5 (C) | 162.8 |
| 6 (CH) | 98.6 |
| 7 (C) | 166 |
| 8 (CH) | 93.1 |
| 9 (C) | 157.5 |
| 10 (C) | 105.5 |
| 1' (C) | 106.8 |
| 2' (C) | 151 |
| 3' (CH) | 100.5 |
| 4' (C) | 152.6 |
| 5' (C) | 137.6 |
| 6' (C) | 127.9 |
| 3a (CH2) | 22.2 |
| 3b (CH) | 37.6 |
| 3c (C) | 145.3 |
| 3d (CH2) | 111.7 |
| 3ca (CH3) | 21.9 |
| 7a (CH3) | 56.3 |
| 4'a (CH3) | 56.3 |
