Spektraris NMR
2,3-dihydroauriculatin
Common Name: 2,3-dihydroauriculatin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-13(2)5-7-17-23-16(9-10-25(3,4)31-23)21(28)20-22(29)18(12-30-24(17)20)15-8-6-14(26)11-19(15)27/h5-6,8-11,18,26-28H,7,12H2,1-4H3
InChIKey: InChIKey=QIUJXSRLJRBVHI-UHFFFAOYSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Taylor, R.B., Corley, D.G., Tempesta, M.S., Fomum, Z.T., Ayafor, J.F., Wandji, J., Ifeadike, P.N. J Nat Prod (1986) 49, 670-3
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH2) | 69.6 |
| 3 (CH) | 46.3 |
| 4 (C) | 198.6 |
| 5 (C) | 156 |
| 6 (C) | 101.9 |
| 7 (C) | 158.3 |
| 8 (C) | 107.5 |
| 9 (C) | 159.4 |
| 10 (C) | 102.5 |
| 1' (C) | 111.8 |
| 2' (C) | 156.1 |
| 3' (CH) | 102.6 |
| 4' (C) | 157.8 |
| 5' (CH) | 106.3 |
| 6' (CH) | 131.2 |
| 6a (CH) | 115 |
| 6b (CH) | 126.6 |
| 6c (C) | 77.9 |
| 6d (CH3) | 27.8 |
| 6e (CH3) | 27.9 |
| 8a (CH2) | 20.8 |
| 8b (CH) | 122.3 |
| 8c (C) | 130.4 |
| 8d (CH3) | 25.5 |
| 8e (CH3) | 17.8 |
