Spektraris NMR
3,4-Dimethylenedioxypterocarpan
Common Name: 3,4-Dimethylenedioxypterocarpan
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H12O6/c1-2-11-17(22-7-19-11)16-8(1)15-10(5-18-16)9-3-13-14(21-6-20-13)4-12(9)23-15/h1-4,10,15H,5-7H2/t10-,15+/m0/s1
InChIKey: InChIKey=XEVNFKSGEIUCCG-ZUZCIYMTSA-N
Formula: C17H12O6
Molecular Weight: 312.274229
Exact Mass: 312.063388
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tarus, P.K., Machocho, A.K., Lang'at-Thoruwa, C.C., Chhabra, S.C. Phytochemistry (2002) 60, 375-9
Species:
Notes: Family : Flavonoids, Type : Pterocarpanoids; 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 (CH) | 123.5 |
| 2 (CH) | 102.1 |
| 3 (C) | 143 |
| 4 (C) | 143.3 |
| 4a (C) | 166.8 |
| 6 (CH2) | 66 |
| 6a (CH) | 39.6 |
| 6b (C) | 117 |
| 7 (CH) | 104.1 |
| 8 (C) | 148.3 |
| 9 (C) | 148.3 |
| 10 (CH) | 93.3 |
| 10a (C) | 160 |
| 11a (CH) | 77.6 |
| 11b (C) | 114.8 |
| 3a (CH2) | 100.7 |
| 8a (CH2) | 101.2 |
