Spektraris NMR
Ethyl 3-O-acetylniduloate
Common Name: Ethyl 3-O-acetylniduloate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O5/c1-3-19-15(18)10-14(20-11(2)16)9-6-12-4-7-13(17)8-5-12/h4-5,7-8,14,17H,3,6,9-10H2,1-2H3/t14-/m0/s1
InChIKey: InChIKey=KIHREBPBKASOMN-AWEZNQCLSA-N
Formula: C15H20O5
Molecular Weight: 280.316878
Exact Mass: 280.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, P.L., Hsu, Y.L., Zao, C.W., Damu, A.G., Wu, T.S. J Nat Prod (2005) 68, 1180-4
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpentanoids; 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) | 129.4 |
| 3 (CH) | 115.3 |
| 4 (C) | 153.8 |
| 5 (CH) | 115.3 |
| 6 (CH) | 129.4 |
| 7 (CH2) | 30.6 |
| 8 (CH2) | 35.9 |
| 9 (CH) | 70.1 |
| 10 (CH2) | 39.3 |
| 11 (C) | 170.3 |
| 9a (C) | 170.4 |
| 9b (CH3) | 21.1 |
| 11a (CH2) | 60.7 |
| 11b (CH3) | 14.2 |
