Spektraris NMR
(3R)-(-)-Manuifolin F
Common Name: (3R)-(-)-Manuifolin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O4/c1-14(2)6-8-19-22(26)9-7-17-10-18(13-29-25(17)19)21-11-20(16(5)15(3)4)23(27)12-24(21)28/h6-7,9,11-12,15,18,26-28H,5,8,10,13H2,1-4H3/t18-/m0/s1
InChIKey: InChIKey=CDOFYIVCXIRJPY-SFHVURJKSA-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) | 70.03 |
| 3 (CH) | 31.82 |
| 4 (CH2) | 30.92 |
| 5 (CH) | 127.51 |
| 6 (CH) | 108.06 |
| 7 (C) | 153.5 |
| 8 (C) | 114.35 |
| 9 (C) | 152.33 |
| 10 (C) | 114.44 |
| 1' (C) | 119.78 |
| 2' (C) | 152.88 |
| 3' (CH) | 103.93 |
| 4' (C) | 153.81 |
| 5' (C) | 121.7 |
| 6' (CH) | 127.44 |
| 1'' (CH2) | 22.33 |
| 2'' (CH) | 122.13 |
| 3'' (C) | 134.22 |
| 4'' (CH3) | 17.83 |
| 5'' (CH3) | 25.77 |
| 1''' (C) | 150.11 |
| 2''' (CH) | 42.05 |
| 3''' (CH3) | 20.86 |
| 4''' (CH3) | 18.47 |
| 1'''a (CH2) | 111.25 |
