Spektraris NMR
Letestuianin A
Common Name: Letestuianin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-4,6-9,11-13,21-22,24H,5,10H2,1H3/b9-4+,17-13-
InChIKey: InChIKey=VZZQQZMZDJETCS-GUKRZAEASA-N
Formula: C20H20O5
Molecular Weight: 340.370558
Exact Mass: 340.131074
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Kamnaing, P., Tsopmo, A., Tanifum, E.A., Tchuendem, M.H., Tane, P., Ayafor, J.F., Sterner, O., Rattendi, D., Iwu, M.M., Schuster, B., Bacchi, C. J Nat Prod (2003) 66, 364-7
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Diphenylheptanoids; 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 (CH2) | 31.7 |
| 2 (CH2) | 42.7 |
| 3 (C) | 199.5 |
| 4 (CH) | 101 |
| 5 (C) | 178.5 |
| 6 (CH) | 120.8 |
| 7 (CH) | 140.6 |
| 1' (C) | 127.8 |
| 2' (CH) | 130.9 |
| 3' (CH) | 116.9 |
| 4' (C) | 160.5 |
| 5' (CH) | 116.9 |
| 6' (CH) | 130.9 |
| 1'' (C) | 133.4 |
| 2'' (CH) | 112.9 |
| 3'' (C) | 148.3 |
| 4'' (C) | 145.9 |
| 5'' (CH) | 115.8 |
| 6'' (CH) | 121.6 |
| 3''a (CH3) | 56.3 |
