Spektraris NMR
Vestitol
Common Name: Vestitol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m1/s1
InChIKey: InChIKey=XRVFNNUXNVWYTI-LLVKDONJSA-N
Formula: C16H16O4
Molecular Weight: 272.296446
Exact Mass: 272.104859
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Hamburger, M.O., Cordell, G.A., Tantivatana, P., Ruangrungsi, N. J Nat Prod (1987) 50, 696-9
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) | 69.2 |
| 3 (CH) | 31.1 |
| 4 (CH2) | 29.8 |
| 5 (CH) | 129.9 |
| 6 (CH) | 107.9 |
| 7 (C) | 156.5 |
| 8 (CH) | 102.5 |
| 9 (C) | 154.5 |
| 10 (C) | 112.7 |
| 1' (C) | 119.7 |
| 2' (C) | 155.8 |
| 3' (CH) | 101.4 |
| 4' (C) | 158.7 |
| 5' (CH) | 104.3 |
| 6' (CH) | 127.6 |
| 4'a (CH3) | 54.8 |
