Spektraris NMR
Propolin A
Common Name: Propolin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O7/c1-14(5-4-10-25(2,3)31)6-7-17-16(8-9-18(27)24(17)30)21-13-20(29)23-19(28)11-15(26)12-22(23)32-21/h6,8-9,11-12,21,26-28,30-31H,4-5,7,10,13H2,1-3H3/b14-6-/t21-/m0/s1
InChIKey: InChIKey=CCNNANWAOVGRMQ-XLPSYMGOSA-N
Formula: C25H30O7
Molecular Weight: 442.502455
Exact Mass: 442.199153
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chen, C.N., Wu, C.L., Shy, H.S., Lin, J.K. J Nat Prod (2003) 66, 503-6
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) | 77.8 |
| 3 (CH2) | 43.7 |
| 4 (C) | 198.2 |
| 5 (C) | 165.2 |
| 6 (CH) | 97.1 |
| 7 (C) | 168.3 |
| 8 (CH) | 96.2 |
| 9 (C) | 165.5 |
| 10 (C) | 103.2 |
| 1' (C) | 129.7 |
| 2' (C) | 128.3 |
| 3' (C) | 144.5 |
| 4' (C) | 146.5 |
| 5' (CH) | 113.6 |
| 6' (CH) | 118.7 |
| 1'' (CH2) | 25.4 |
| 2'' (CH) | 124.7 |
| 3'' (C) | 135.8 |
| 4'' (CH3) | 16.2 |
| 5'' (CH2) | 41.2 |
| 6'' (CH2) | 23.7 |
| 7'' (CH2) | 44.3 |
| 8'' (C) | 71.5 |
| 9'' (CH3) | 29.1 |
| 10'' (CH3) | 29.2 |
