Spektraris NMR
Phellodenol
Common Name: Phellodenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C11H10O4/c12-4-3-7-5-8-1-2-11(14)15-10(8)6-9(7)13/h1-2,5-6,12-13H,3-4H2
InChIKey: InChIKey=UNMQLUGEYMJJSH-UHFFFAOYSA-N
Formula: C11H10O4
Molecular Weight: 206.195122
Exact Mass: 206.057909
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) | 161.2 |
| 3 (CH) | 112.8 |
| 4 (CH) | 144.7 |
| 5 (CH) | 131 |
| 6 (C) | 125.9 |
| 7 (C) | 160.5 |
| 8 (CH) | 103.4 |
| 9 (C) | 155.5 |
| 10 (C) | 112.5 |
| 6a (CH2) | 34.5 |
| 6b (CH2) | 62.7 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.