Spektraris NMR
SCHEMBL6822263
Common Name: SCHEMBL6822263
Synonyms: SCHEMBL6822263
CAS Registry Number:
InChI: InChI=1S/C25H26O7/c1-13(2)5-4-6-14(3)7-9-16-18(27)12-20-21(22(16)29)23(30)24(31)25(32-20)15-8-10-17(26)19(28)11-15/h5,7-8,10-12,26-29,31H,4,6,9H2,1-3H3/b14-7+
InChIKey: InChIKey=DMSHSZYADCTYHE-VGOFMYFVSA-N
Formula: C25H26O7
Molecular Weight: 438.470692
Exact Mass: 438.167853
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Lee, D., Bhat, K.P., Fong, H.H., Farnsworth, N.R., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2001) 64, 1286-93
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) | 146.6 |
| 3 (C) | 136.6 |
| 4 (C) | 176.5 |
| 5 (C) | 158.9 |
| 6 (C) | 111.7 |
| 7 (C) | 162.7 |
| 8 (CH) | 93.8 |
| 9 (C) | 155.6 |
| 10 (C) | 104 |
| 1' (C) | 123.8 |
| 2' (CH) | 115.6 |
| 3' (C) | 145.7 |
| 4' (C) | 148.2 |
| 5' (CH) | 116.2 |
| 6' (CH) | 121.3 |
| 6a (CH2) | 21.9 |
| 6b (CH) | 123.1 |
| 6c (C) | 135.3 |
| 6d (CH2) | 40.5 |
| 6e (CH2) | 27.3 |
| 6f (CH) | 125.1 |
| 6g (C) | 131.6 |
| 6h (CH3) | 28.8 |
| 6i (CH3) | 17.6 |
| 6j (CH3) | 16.2 |
