Spektraris NMR
8-prenylmucronulatol
Common Name: 8-prenylmucronulatol
Synonyms: 8-prenylmucronulatol
CAS Registry Number:
InChI: InChI=1S/C22H26O5/c1-13(2)5-7-17-18(23)9-6-14-11-15(12-27-21(14)17)16-8-10-19(25-3)20(24)22(16)26-4/h5-6,8-10,15,23-24H,7,11-12H2,1-4H3/t15-/m0/s1
InChIKey: InChIKey=WEMQLGFQFNBABO-HNNXBMFYSA-N
Formula: C22H26O5
Molecular Weight: 370.439674
Exact Mass: 370.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sairafianpour, M., Kayser, O., Christensen, J., Asfa, M., Witt, M., Staerk, D., Jaroszewski, J.W. J Nat Prod (2002) 65, 1754-8
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanes; 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 (CH2) | 70.56 |
| 3 (CH) | 31.67 |
| 4 (CH2) | 32.04 |
| 5 (CH) | 127.56 |
| 6 (CH) | 108.12 |
| 7 (C) | 153.7 |
| 8 (C) | 114.39 |
| 9 (C) | 152.33 |
| 10 (C) | 114.39 |
| 1' (C) | 127.75 |
| 2' (C) | 145.37 |
| 3' (C) | 138.7 |
| 4' (C) | 146.62 |
| 5' (CH) | 106.54 |
| 6' (CH) | 117 |
| 1'' (CH2) | 22.38 |
| 2'' (CH) | 122.13 |
| 3'' (C) | 134.3 |
| 4'' (CH3) | 17.87 |
| 5'' (CH3) | 25.81 |
| 2'a (CH3) | 61.07 |
| 4'a (CH3) | 56.24 |
