Spektraris NMR
Tectorigenin
Common Name: Tectorigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O15/c1-37-23-15(6-14-17(20(23)32)18(30)13(7-38-14)11-2-4-12(29)5-3-11)41-25-22(34)21(33)19(31)16(42-25)8-39-26-24(35)27(36,9-28)10-40-26/h2-7,16,19,21-22,24-26,28-29,31-36H,8-10H2,1H3/t16-,19-,21+,22-,24+,25-,26+,27-/m1/s1
InChIKey: InChIKey=MPQNEAGCEIDBTL-HQGYOKCVSA-N
Formula: C27H30O15
Molecular Weight: 594.519166
Exact Mass: 594.15847
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Farag, S.F., Ahmed, A.S., Terashima, K., Takaya, Y., Niwa, M. Phytochemistry (2001) 57, 1263-8
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 (CH) | 154.6 |
| 3 (C) | 122 |
| 4 (C) | 180.8 |
| 5 (C) | 152.9 |
| 6 (C) | 132.5 |
| 7 (C) | 156.5 |
| 8 (CH) | 94.3 |
| 9 (C) | 152.5 |
| 10 (C) | 106.6 |
| 1' (C) | 121.1 |
| 2' (CH) | 130.1 |
| 3' (CH) | 115.1 |
| 4' (C) | 157.5 |
| 5' (CH) | 115.1 |
| 6' (CH) | 130.1 |
| 1'' (CH) | 100.3 |
| 2'' (CH) | 73.1 |
| 3'' (CH) | 76.7 |
| 4'' (CH) | 70 |
| 5'' (CH) | 75.7 |
| 6'' (CH2) | 67.82 |
| 1''' (CH) | 109.5 |
| 2''' (CH) | 75.9 |
| 3''' (C) | 78.7 |
| 4''' (CH2) | 73.22 |
| 5''' (CH2) | 63.32 |
| 6a (CH3) | 60.33 |
