Spektraris NMR
(3R)-(-)-Manuifolin D
Common Name: (3R)-(-)-Manuifolin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O4/c1-6-25(4,5)21-13-20(22(27)14-24(21)28-10-9-16(2)3)18-11-17-7-8-19(26)12-23(17)29-15-18/h6-9,12-14,18,26-27H,1,10-11,15H2,2-5H3/t18-/m0/s1
InChIKey: InChIKey=CQIPZJOPCSXCNV-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) | 69.95 |
| 3 (CH) | 32.19 |
| 4 (CH2) | 30.42 |
| 5 (CH) | 130.41 |
| 6 (CH) | 107.92 |
| 7 (C) | 154.77 |
| 8 (CH) | 103.19 |
| 9 (C) | 155.09 |
| 10 (C) | 114.83 |
| 1' (C) | 117.65 |
| 2' (C) | 152.28 |
| 3' (CH) | 101.33 |
| 4' (C) | 156.84 |
| 5' (C) | 129.27 |
| 6' (CH) | 126.25 |
| 1'' (C) | 40.2 |
| 2'' (CH) | 148.09 |
| 3'' (CH2) | 109.74 |
| 4'' (CH3) | 27.13 |
| 5'' (CH3) | 27.18 |
| 4'a (CH2) | 65.22 |
| 4'b (CH) | 119.98 |
| 4'c (C) | 136.93 |
| 4'd (CH3) | 18.24 |
| 4'e (CH3) | 25.69 |
