Spektraris NMR
Usararotenoid C
Common Name: Usararotenoid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O7/c1-12(2)4-5-13-16(26-3)7-6-14-21(13)30-20-10-27-17-9-19-18(28-11-29-19)8-15(17)23(20,25)22(14)24/h4,6-9,20,25H,5,10-11H2,1-3H3/t20-,23+/m1/s1
InChIKey: InChIKey=ZFSLOJRJABHMTL-OFNKIYASSA-N
Formula: C23H22O7
Molecular Weight: 410.417457
Exact Mass: 410.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yenesew, A., Derese, S., Midiwo, J.O., Oketch-Rabah, H.A., Lisgarten, J., Palmer, R., Heydenreich, M., Peter, M.G., Akala, H., Wangui, J., Liyala, P., Waters, N.C. Phytochemistry (2003) 64, 773-9
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) | 109.9 |
| 1a (C) | 110.5 |
| 2 (C) | 142.3 |
| 3 (C) | 149.4 |
| 4 (CH) | 98.5 |
| 4a (C) | 150.7 |
| 6 (CH2) | 61.7 |
| 6a (CH) | 76.5 |
| 7a (C) | 158.1 |
| 8 (C) | 117.3 |
| 9 (C) | 163.3 |
| 10 (CH) | 105.9 |
| 11 (CH) | 128.3 |
| 11a (C) | 114 |
| 12 (C) | 187.6 |
| 12a (C) | 66.5 |
| 1' (CH2) | 22.1 |
| 2' (CH) | 121.5 |
| 3' (C) | 132 |
| 4' (CH3) | 25.8 |
| 5' (CH3) | 17.8 |
| 2a (CH2) | 101.5 |
| 9a (CH3) | 56 |
