Spektraris NMR
(3R)-(-)-Manuifolin E
Common Name: (3R)-(-)-Manuifolin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O4/c1-7-24(3,4)18-10-15-9-16(14-29-23(15)13-22(18)28)17-11-19(25(5,6)8-2)21(27)12-20(17)26/h7-8,10-13,16,26-28H,1-2,9,14H2,3-6H3/t16-/m0/s1
InChIKey: InChIKey=MPCWQSNWADRTCA-INIZCTEOSA-N
Formula: C25H30O4
Molecular Weight: 394.50424
Exact Mass: 394.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zeng, J.F., Li, G.L., Shen, J.K., Zhu, D.Y., Chen, K., Lee, K.H. J Nat Prod (1997) 60, 918-20
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) | 69.81 |
| 3 (CH) | 32.21 |
| 4 (CH2) | 30.56 |
| 5 (CH) | 127.08 |
| 6 (C) | 124.85 |
| 7 (C) | 153.69 |
| 8 (CH) | 105.14 |
| 9 (C) | 154.01 |
| 10 (C) | 114.19 |
| 1' (C) | 119.46 |
| 2' (C) | 153.32 |
| 3' (CH) | 104.89 |
| 4' (C) | 153.94 |
| 5' (C) | 124.42 |
| 6' (CH) | 125.33 |
| 1'' (C) | 39.83 |
| 2'' (CH) | 148.14 |
| 3'' (CH2) | 113.37 |
| 4'' (CH3) | 26.97 |
| 5'' (CH3) | 27.01 |
| 1''' (C) | 39.77 |
| 2''' (CH) | 148.22 |
| 3''' (CH2) | 113.23 |
| 4''' (CH3) | 27.2 |
| 5''' (CH3) | 27.2 |
