Spektraris NMR
orotinin
Common Name: orotinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-13(2)8-9-15-23-14(10-11-25(3,4)31-23)22(29)21-18(28)12-19(30-24(15)21)20-16(26)6-5-7-17(20)27/h5-8,10-11,19,26-27,29H,9,12H2,1-4H3
InChIKey: InChIKey=WHHZACYYTYNGSW-UHFFFAOYSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - P.G. Waterman, E.N. Mahmoud Phytochemistry (1987) 26, 1189
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 (CH) | 75.9 |
| 3 (CH2) | 41.2 |
| 4 (C) | 196.6 |
| 5 (C) | 158.2 |
| 6 (C) | 109.3 |
| 7 (C) | 159.8 |
| 8 (C) | 102.6 |
| 9 (C) | 157 |
| 10 (C) | 103.9 |
| 1' (C) | 110.5 |
| 2' (C) | 154.7 |
| 3' (CH) | 108.9 |
| 4' (CH) | 130.1 |
| 5' (CH) | 108.9 |
| 6' (C) | 154.7 |
| 6a (CH) | 115.6 |
| 6b (CH) | 126.5 |
| 6c (C) | 78.5 |
| 6d (CH3) | 28.4 |
| 6e (CH3) | 28.4 |
| 8a (CH2) | 21.5 |
| 8b (CH) | 122 |
| 8c (C) | 132.7 |
| 8d (CH3) | 17.8 |
| 8e (CH3) | 25.7 |
