Spektraris NMR
SCHEMBL6822763
Common Name: SCHEMBL6822763
Synonyms: SCHEMBL6822763
CAS Registry Number:
InChI: InChI=1S/C26H28O7/c1-14(2)6-5-7-15(3)8-10-17-19(28)13-21-22(23(17)30)24(31)26(32-4)25(33-21)16-9-11-18(27)20(29)12-16/h6,8-9,11-13,27-30H,5,7,10H2,1-4H3/b15-8+
InChIKey: InChIKey=SFMXXEOUUFGNQC-OVCLIPMQSA-N
Formula: C26H28O7
Molecular Weight: 452.497309
Exact Mass: 452.183503
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) | 156.6 |
| 3 (C) | 139.5 |
| 4 (C) | 180.2 |
| 5 (C) | 160 |
| 6 (C) | 112.3 |
| 7 (C) | 162.3 |
| 8 (CH) | 94 |
| 9 (C) | 155.3 |
| 10 (C) | 105.7 |
| 1' (C) | 123.1 |
| 2' (CH) | 116.5 |
| 3' (C) | 146.1 |
| 4' (C) | 149.1 |
| 5' (CH) | 116.4 |
| 6' (CH) | 122.2 |
| 3a (CH3) | 60.2 |
| 6a (CH2) | 21.9 |
| 6b (CH) | 123.3 |
| 6c (C) | 135.7 |
| 6d (CH2) | 40.6 |
| 6e (CH2) | 27.5 |
| 6f (CH) | 125.4 |
| 6g (C) | 131.7 |
| 6h (CH3) | 25.9 |
| 6i (CH3) | 17.7 |
| 6j (CH3) | 16.2 |
