Spektraris NMR
(3S)-3',7-dihydroxy-2',4',5',8-tetramethoxyisoflavan
Common Name: (3S)-3',7-dihydroxy-2',4',5',8-tetramethoxyisoflavan
Synonyms: (3S)-3',7-dihydroxy-2',4',5',8-tetramethoxyisoflavan
CAS Registry Number:
InChI: InChI=1S/C19H22O7/c1-22-14-8-12(17(23-2)15(21)19(14)25-4)11-7-10-5-6-13(20)18(24-3)16(10)26-9-11/h5-6,8,11,20-21H,7,9H2,1-4H3/t11-/m1/s1
InChIKey: InChIKey=WLBRDEZXTKMHFM-LLVKDONJSA-N
Formula: C19H22O7
Molecular Weight: 362.374513
Exact Mass: 362.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alvarez, L., Rios, M.Y., Esquivel, C., Chavez, M.I., Delgado, G., Aguilar, M.I., Villarreal, M.L., Navarro, V. J Nat Prod (1998) 61, 767-70
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanes; 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) | 70.02 |
| 3 (CH) | 31.19 |
| 4 (CH2) | 31.26 |
| 5 (CH) | 123.97 |
| 6 (CH) | 107.2 |
| 7 (C) | 147.41 |
| 8 (C) | 134.77 |
| 9 (C) | 146.95 |
| 10 (C) | 114.86 |
| 1' (C) | 129.59 |
| 2' (C) | 144.41 |
| 3' (C) | 145.42 |
| 4' (C) | 138.99 |
| 5' (C) | 146 |
| 6' (CH) | 107.61 |
| 8a (CH3) | 60.53 |
| 2'a (CH3) | 61.25 |
| 4'a (CH3) | 60.79 |
| 5'a (CH3) | 60.4 |
