Spektraris NMR
12a-Hydroxyrotenone
Common Name: 12a-Hydroxyrotenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16?,20?,23-/m0/s1
InChIKey: InChIKey=JFVKWCYZKMUTLH-JCJCGPQSSA-N
Formula: C23H22O7
Molecular Weight: 410.417457
Exact Mass: 410.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vanpuyvelde, L., Dekimpe, N., Mudaheranwa, J.P., Gasiga, A., Schamp, N., Declercq, J.P., Vanmeerssche, M. J Nat Prod (1987) 50, 349-56
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) | 108.8 |
| 1a (C) | 109.5 |
| 2 (C) | 142.9 |
| 3 (C) | 151.2 |
| 4 (CH) | 101.1 |
| 4a (C) | 148.4 |
| 6 (CH2) | 63.9 |
| 6a (CH) | 76.1 |
| 7a (C) | 157.7 |
| 8 (C) | 113.2 |
| 9 (C) | 168 |
| 10 (CH) | 105.3 |
| 11 (CH) | 130.2 |
| 11a (C) | 111.8 |
| 12 (C) | 191.1 |
| 12a (C) | 67.6 |
| 1' (CH2) | 31.1 |
| 2' (CH) | 88 |
| 3' (C) | 142.9 |
| 4' (CH2) | 112.6 |
| 5' (CH3) | 17.1 |
| 2a (CH3) | 55.9 |
| 3a (CH3) | 56.4 |
