Spektraris NMR
Epirhododendrin
Common Name: Epirhododendrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3/t9-,12+,13+,14-,15+,16+/m0/s1
InChIKey: InChIKey=KLLYDTMVSVIJEH-PQZGBVCXSA-N
Formula: C16H24O7
Molecular Weight: 328.358187
Exact Mass: 328.152203
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Shikishima Y., Takaishi Y., Honda G., Ito M., Takeda Y., Kodzhimatov O.K., Ashurmetov O. Phytochemistry (2001) 56, 377-81
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylbutanoids; 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 (CH3) | 21.8 |
| 2 (CH) | 76.7 |
| 3 (CH2) | 39.2 |
| 4 (CH2) | 31.2 |
| 5 (C) | 134.1 |
| 6 (CH) | 129.9 |
| 7 (CH) | 115.7 |
| 8 (C) | 155.3 |
| 9 (CH) | 115.7 |
| 10 (CH) | 129.9 |
| 1' (CH) | 103.2 |
| 2' (CH) | 74.5 |
| 3' (CH) | 77.2 |
| 4' (CH) | 70.8 |
| 5' (CH) | 76.9 |
| 6' (CH2) | 62.2 |
