Spektraris NMR
Dalversinol A
Common Name: Dalversinol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O6/c1-6-25(4,5)17-9-15(19(27)10-20(17)28)16-12-31-24-14(8-7-13(2)3)18(26)11-21(29)22(24)23(16)30/h6-7,9-11,16,26-29H,1,8,12H2,2-5H3
InChIKey: InChIKey=YRYKGMZZXKREMN-UHFFFAOYSA-N
Formula: C25H28O6
Molecular Weight: 424.487168
Exact Mass: 424.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Belofsky, G., Percivill, D., Lewis, K., Tegos, G.P., Ekart, J. J Nat Prod (2004) 67, 481-4
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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) | 69.9 |
| 3 (CH) | 45.6 |
| 4 (C) | 197.6 |
| 5 (C) | 163.2 |
| 6 (CH) | 97.3 |
| 7 (C) | 164.5 |
| 8 (C) | 106.7 |
| 9 (C) | 160 |
| 10 (C) | 102.2 |
| 1' (C) | 114.5 |
| 2' (C) | 155.1 |
| 3' (CH) | 107 |
| 4' (C) | 155.9 |
| 5' (C) | 125.4 |
| 6' (CH) | 125.6 |
| 1'' (CH2) | 21.8 |
| 2'' (CH) | 121.8 |
| 3'' (C) | 134.9 |
| 4'' (CH3) | 18.1 |
| 5'' (CH3) | 26 |
| 1''' (C) | 40.1 |
| 2''' (CH) | 148.2 |
| 3''' (CH2) | 113.8 |
| 4''' (CH3) | 27.3 |
| 5''' (CH3) | 27.3 |
