Spektraris NMR
Dihydroisoderrondiol
Common Name: Dihydroisoderrondiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O7/c1-20(2)19(25)18(24)11-5-9(3-4-14(11)27-20)12-8-26-15-7-10(21)6-13(22)16(15)17(12)23/h3-8,18-19,21-22,24-25H,1-2H3/t18-,19+/m1/s1
InChIKey: InChIKey=DRLOYLLHCWGYLF-MOPGFXCFSA-N
Formula: C20H18O7
Molecular Weight: 370.353486
Exact Mass: 370.105253
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Pistelli, L., Giachi, I., Potenza, D., Morelli, I. J Nat Prod (2000) 63, 504-6
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) | 154.9 |
| 3 (C) | 124.6 |
| 4 (C) | 182.1 |
| 5 (C) | 163.8 |
| 6 (CH) | 100.1 |
| 7 (C) | 166 |
| 8 (CH) | 94.8 |
| 9 (C) | 159.7 |
| 10 (C) | 106.3 |
| 1' (C) | 125.1 |
| 2' (CH) | 130.1 |
| 3' (C) | 124.4 |
| 4' (C) | 153.9 |
| 5' (CH) | 117.7 |
| 6' (CH) | 129.1 |
| 2'' (C) | 79.4 |
| 3'' (CH) | 76.9 |
| 4'' (CH) | 70.1 |
| 5'' (CH3) | 27.1 |
| 6'' (CH3) | 19.4 |
