Spektraris NMR
(-)-Dihydroclusin diacetate
Common Name: (-)-Dihydroclusin diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O9/c1-16(27)32-13-20(8-18-6-7-22-23(10-18)35-15-34-22)21(14-33-17(2)28)9-19-11-24(29-3)26(31-5)25(12-19)30-4/h6-7,10-12,20-21H,8-9,13-15H2,1-5H3/t20-,21-/m0/s1
InChIKey: InChIKey=PGLVKIQODAEYPR-SFTDATJTSA-N
Formula: C26H32O9
Molecular Weight: 488.527882
Exact Mass: 488.204633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, C.C., Hsin, W.C., Huang, Y.L. J Nat Prod (1998) 61, 227-9
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutanes; 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) | 133.3 |
| 2 (CH) | 109.1 |
| 3 (C) | 147.7 |
| 4 (C) | 145.9 |
| 5 (CH) | 108.1 |
| 6 (CH) | 121.8 |
| 7 (CH2) | 34.9 |
| 8 (CH) | 39.8 |
| 9 (CH2) | 64.3 |
| 1' (C) | 135.3 |
| 2' (CH) | 105.7 |
| 3' (C) | 153.1 |
| 4' (C) | 135.4 |
| 5' (C) | 153.1 |
| 6' (CH) | 105.7 |
| 7' (CH2) | 35.7 |
| 8' (CH) | 39.5 |
| 9' (CH2) | 64.3 |
| 3a (CH2) | 100.9 |
| 9a (C) | 170.9 |
| 9b (CH3) | 21 |
| 3'a (CH3) | 56 |
| 4'a (CH3) | 56 |
| 5'a (CH3) | 56 |
| 9'a (C) | 170.9 |
| 9'b (CH3) | 21 |
