Spektraris NMR
dihydrogenistin
Common Name: dihydrogenistin
Synonyms: dihydrogenistin
CAS Registry Number:
InChI: InChI=1S/C21H22O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,12,15,18-24,26-28H,7-8H2/t12?,15-,18-,19+,20-,21-/m1/s1
InChIKey: InChIKey=HZFUHKPAKUYSOB-KENFSNRMSA-N
Formula: C21H22O10
Molecular Weight: 434.3942
Exact Mass: 434.121297
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Hosny, M., Rosazza, J.P. J Nat Prod (2002) 65, 805-13
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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) | 71.26 |
| 3 (CH) | 47.1 |
| 4 (C) | 197.86 |
| 5 (C) | 164.5 |
| 6 (CH) | 102.1 |
| 7 (C) | 169 |
| 8 (CH) | 96.35 |
| 9 (C) | 165.4 |
| 10 (C) | 103.1 |
| 1' (C) | 128.6 |
| 2' (CH) | 133.1 |
| 3' (CH) | 117.5 |
| 4' (C) | 159 |
| 5' (CH) | 117.5 |
| 6' (CH) | 133.1 |
| 1'' (CH) | 98.29 |
| 2'' (CH) | 74.76 |
| 3'' (CH) | 77.67 |
| 4'' (CH) | 71.02 |
| 5'' (CH) | 78.11 |
| 6'' (CH2) | 62.43 |
