Spektraris NMR
Jaceidin
Common Name: Jaceidin
Synonyms: Jaceidin
CAS Registry Number:
InChI: InChI=1S/C18H16O8/c1-23-11-6-8(4-5-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3
InChIKey: InChIKey=XUWTZJRCCPNNJR-UHFFFAOYSA-N
Formula: C18H16O8
Molecular Weight: 360.315538
Exact Mass: 360.084517
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) | 155.3 |
| 3 (C) | 137.3 |
| 4 (C) | 178 |
| 5 (C) | 152.2 |
| 6 (C) | 131.2 |
| 7 (C) | 157.8 |
| 8 (CH) | 94.1 |
| 9 (C) | 151.5 |
| 10 (C) | 104.3 |
| 1' (C) | 120.8 |
| 2' (CH) | 112 |
| 3' (C) | 147.4 |
| 4' (C) | 149.7 |
| 5' (CH) | 115.6 |
| 6' (CH) | 122.1 |
| 3a (CH3) | 59.9 |
| 6a (CH3) | 59.6 |
| 3'a (CH3) | 55.7 |
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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.