Spektraris NMR
Phellodenol-C
Common Name: Phellodenol-C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
InChIKey: InChIKey=JUOLTTLEQHQQED-XNWCZRBMSA-N
Formula: C14H14O4
Molecular Weight: 246.259093
Exact Mass: 246.089209
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wu, T.S., Hsu, M.Y., Kuo, P.C., Sreenivasulu, B., Damu, A.G., Su, C.R., Li, C.Y., Chang, H.C. J Nat Prod (2003) 66, 1207-11
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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 (C) | 161.1 |
| 3 (CH) | 112.7 |
| 4 (CH) | 144.7 |
| 5 (CH) | 129.7 |
| 6 (C) | 126.1 |
| 7 (C) | 159.7 |
| 8 (CH) | 103 |
| 9 (C) | 155.3 |
| 10 (C) | 112.8 |
| 1' (CH2) | 27.8 |
| 2' (CH) | 124.9 |
| 3' (C) | 137.3 |
| 4' (CH2) | 61.4 |
| 5' (CH3) | 18.4 |
