Spektraris NMR
Malaccol
Common Name: Malaccol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H16O7/c1-23-14-5-10-13(7-15(14)24-2)26-8-16-17(10)19(22)18-11(21)6-12-9(3-4-25-12)20(18)27-16/h3-7,16-17,21H,8H2,1-2H3
InChIKey: InChIKey=WEMVDFMZCALBHH-UHFFFAOYSA-N
Formula: C20H16O7
Molecular Weight: 368.337604
Exact Mass: 368.089603
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Crombie, L., Kilbee, G.W., Whiting, D.A. J Chem Soc, Perkin Trans 1 (1975) 0, 1497-9
Species:
Notes: Family : Flavonoids, Type : Rotenoids; 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 |
|---|---|
| 1 (CH) | 110.1 |
| 1a (C) | 104.3 |
| 2 (C) | 143.9 |
| 3 (C) | 149.8 |
| 4 (CH) | 101.1 |
| 4a (C) | 147.4 |
| 6 (CH2) | 65.8 |
| 6a (CH) | 72.5 |
| 7a (C) | 161.9 |
| 8 (C) | 102.6 |
| 9 (C) | 160.8 |
| 10 (CH) | 93 |
| 11 (C) | 160.8 |
| 11a (C) | 101.1 |
| 12 (C) | 195.6 |
| 12a (CH) | 44.1 |
| 1' (CH) | 104.3 |
| 2' (CH) | 143.9 |
| 2a (CH3) | 55.8 |
| 3a (CH3) | 56.3 |
Copyright © 2025
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.