Spektraris NMR
Sarothrin
Common Name: Sarothrin
Synonyms: Sarothrin
CAS Registry Number:
InChI: InChI=1S/C18H16O8/c1-23-16-11(20)10-12(21)17(24-2)14(8-4-6-9(19)7-5-8)26-15(10)18(25-3)13(16)22/h4-7,19-20,22H,1-3H3
InChIKey: InChIKey=KHZSFBNUQVEEQR-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) | 155.5 |
| 3 (C) | 137.3 |
| 4 (C) | 178.3 |
| 5 (C) | 147.9 |
| 6 (C) | 131.3 |
| 7 (C) | 150.7 |
| 8 (C) | 127.7 |
| 9 (C) | 144.2 |
| 10 (C) | 103.5 |
| 1' (C) | 120.7 |
| 2' (CH) | 129.9 |
| 3' (CH) | 115.7 |
| 4' (C) | 160.2 |
| 5' (CH) | 115.7 |
| 6' (CH) | 129.9 |
| 3a (CH3) | 59.5 |
| 6a (CH3) | 60.2 |
| 8a (CH3) | 61.2 |
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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.