Spektraris NMR
(3S)-7-hydroxy-2',3',4',5',8-pentamethoxyisoflavan
Common Name: (3S)-7-hydroxy-2',3',4',5',8-pentamethoxyisoflavan
Synonyms: (3S)-7-hydroxy-2',3',4',5',8-pentamethoxyisoflavan
CAS Registry Number:
InChI: InChI=1S/C20H24O7/c1-22-15-9-13(17(23-2)20(26-5)19(15)25-4)12-8-11-6-7-14(21)18(24-3)16(11)27-10-12/h6-7,9,12,21H,8,10H2,1-5H3/t12-/m1/s1
InChIKey: InChIKey=HXMFOQRLTFPKOD-GFCCVEGCSA-N
Formula: C20H24O7
Molecular Weight: 376.401131
Exact Mass: 376.152203
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) | 70.28 |
| 3 (CH) | 31.84 |
| 4 (CH2) | 31.32 |
| 5 (CH) | 124.2 |
| 6 (CH) | 107.1 |
| 7 (C) | 147.6 |
| 8 (C) | 134.8 |
| 9 (C) | 147.12 |
| 10 (C) | 115 |
| 1' (C) | 128.9 |
| 2' (C) | 145.5 |
| 3' (C) | 147.15 |
| 4' (C) | 141.95 |
| 5' (C) | 149.67 |
| 6' (CH) | 105.23 |
| 8a (CH3) | 61 |
| 2'a (CH3) | 61.89 |
| 3'a (CH3) | 56.25 |
| 4'a (CH3) | 60.9 |
| 5'a (CH3) | 61.51 |
