Spektraris NMR
Isomundulinol
Common Name: Isomundulinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O5/c1-14(2)10-11-16-19(26)18-20(27)21(28)22(15-8-6-5-7-9-15)29-24(18)17-12-13-25(3,4)30-23(16)17/h5-10,12-13,21-22,26,28H,11H2,1-4H3/t21-,22+/m0/s1
InChIKey: InChIKey=FTKQZUFPVWKFIA-FCHUYYIVSA-N
Formula: C25H26O5
Molecular Weight: 406.471882
Exact Mass: 406.178024
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Cao, S., Schilling, J.K., Miller, J.S., Andriantsiferana, R., Rasamison, V.E., Kingston, D.G. J Nat Prod (2004) 67, 454-6
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanonols; 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) | 83.2 |
| 3 (CH) | 72.5 |
| 4 (C) | 195.7 |
| 5 (C) | 160.7 |
| 6 (C) | 110.3 |
| 7 (C) | 160.5 |
| 8 (C) | 102.1 |
| 9 (C) | 154.9 |
| 10 (C) | 100.1 |
| 1' (C) | 136.5 |
| 2' (CH) | 127.4 |
| 3' (CH) | 128.6 |
| 4' (CH) | 129.2 |
| 5' (CH) | 128.6 |
| 6' (CH) | 127.4 |
| 2'' (C) | 78.3 |
| 3'' (CH) | 126.5 |
| 4'' (CH) | 115.6 |
| 5'' (CH3) | 28.3 |
| 6'' (CH3) | 28.6 |
| 1''' (CH2) | 20.9 |
| 2''' (CH) | 122 |
| 3''' (C) | 131.6 |
| 4''' (CH3) | 25.8 |
| 5''' (CH3) | 17.9 |
