Spektraris NMR
Limocitrol
Common Name: Limocitrol
Synonyms: Limocitrol
CAS Registry Number:
InChI: InChI=1S/C18H16O9/c1-24-9-6-7(4-5-8(9)19)15-13(22)11(20)10-12(21)17(25-2)14(23)18(26-3)16(10)27-15/h4-6,19,21-23H,1-3H3
InChIKey: InChIKey=LCKHNFJHVWUHTR-UHFFFAOYSA-N
Formula: C18H16O9
Molecular Weight: 376.314943
Exact Mass: 376.079432
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Roitman, J.N., James, L.F. Phytochemistry (1985) 24, 835-48
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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 (C) | 150.5 |
| 3 (C) | 135.5 |
| 4 (C) | 176.2 |
| 5 (C) | 146.6 |
| 6 (C) | 130.9 |
| 7 (C) | 147.2 |
| 8 (C) | 127.6 |
| 9 (C) | 144.3 |
| 10 (C) | 102.3 |
| 1' (C) | 122.1 |
| 2' (CH) | 111.2 |
| 3' (C) | 147.4 |
| 4' (C) | 148.8 |
| 5' (CH) | 115.6 |
| 6' (CH) | 121.6 |
| 6a (CH3) | 61 |
| 8a (CH3) | 60.2 |
| 3'a (CH3) | 55.3 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.