Spektraris NMR
Dicerandrol B
Common Name: Dicerandrol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H36O15/c1-14-10-21(41)27-31(45)25-23(50-35(27,12-37)33(14)48-17(4)39)8-6-19(29(25)43)20-7-9-24-26(30(20)44)32(46)28-22(42)11-15(2)34(49-18(5)40)36(28,51-24)13-47-16(3)38/h6-9,14-15,33-34,37,41-44H,10-13H2,1-5H3/t14-,15-,33-,34-,35+,36+/m1/s1
InChIKey: InChIKey=WRLHYRADHSNDLJ-NKSNWBLISA-N
Formula: C36H36O15
Molecular Weight: 708.663433
Exact Mass: 708.20542
NMR Solvent: CD3C≡N
MHz:
Calibration:
NMR references: 13C - Wagenaar, M.M., Clardy, J. J Nat Prod (2001) 64, 1006-9
Species:
Notes: Family : Aromatics, Type : Xanthones; 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 |
|---|---|
| 1 (C) | 160.3 |
| 2 (C) | 118.5 |
| 3 (CH) | 141 |
| 4 (CH) | 108.9 |
| 4a (C) | 158.9 |
| 5 (CH) | 71.8 |
| 6 (CH) | 28.5 |
| 7 (CH2) | 34.1 |
| 8 (C) | 180.1 |
| 8a (C) | 102.3 |
| 9 (C) | 189 |
| 9a (C) | 107.3 |
| 10a (C) | 83.8 |
| 1' (C) | 160.3 |
| 2' (C) | 118.9 |
| 3' (CH) | 141 |
| 4' (CH) | 108.7 |
| 4'a (C) | 158.5 |
| 5' (CH) | 71.6 |
| 6' (CH) | 28.5 |
| 7' (CH2) | 34.1 |
| 8' (C) | 180 |
| 8'a (C) | 101.4 |
| 9' (C) | 189 |
| 9'a (C) | 107.3 |
| 10'a (C) | 82 |
| 1'' (CH2) | 65.8 |
| 1''' (CH2) | 66 |
| 5a (C) | 171.4 |
| 5b (CH3) | 21 |
| 6a (CH3) | 17.8 |
| 5'a (C) | 171.3 |
| 5'b (CH3) | 21 |
| 6'a (CH3) | 17.7 |
| 1'''a (C) | 171.1 |
| 1'''b (CH3) | 20.9 |
