Spektraris NMR
Derrisin
Common Name: Derrisin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O8/c1-23(2)22(26)20(25)18-12(31-23)6-5-10-19(24)17-11-7-14(27-3)15(28-4)8-13(11)29-9-16(17)30-21(10)18/h5-8,16-17,20,22,25-26H,9H2,1-4H3/t16-,17+,20+,22-/m1/s1
InChIKey: InChIKey=KANDATZVPJBSEB-HBCLNWRISA-N
Formula: C23H24O8
Molecular Weight: 428.432743
Exact Mass: 428.147118
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Takashima, J., Chiba, N., Yoneda, K., Ohsaki, A. J Nat Prod (2002) 65, 611-3
Species:
Notes: Family : Flavonoids, Type : Rotenoids; 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 |
|---|---|
| 1 (CH) | 112.7 |
| 1a (C) | 106.3 |
| 2 (C) | 144.9 |
| 3 (C) | 151.1 |
| 4 (CH) | 112.7 |
| 4a (C) | 149.1 |
| 6 (CH2) | 67 |
| 6a (CH) | 73.8 |
| 7a (C) | 162.6 |
| 8 (C) | 113.2 |
| 9 (C) | 160.4 |
| 10 (CH) | 102.3 |
| 11 (CH) | 128.5 |
| 11a (C) | 112.5 |
| 12 (C) | 189.6 |
| 12a (CH) | 44.8 |
| 1' (CH) | 66 |
| 2' (CH) | 74.3 |
| 3' (C) | 79.5 |
| 4' (CH3) | 24.9 |
| 5' (CH3) | 23.3 |
| 2a (CH3) | 56.9 |
| 3a (CH3) | 56 |
