Spektraris NMR
Robustic acid
Common Name: Robustic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16-18(20(14)26-4)19(23)17(21(24)27-16)12-5-7-13(25-3)8-6-12/h5-11,23H,1-4H3
InChIKey: InChIKey=MBZKDBQDALOSRP-UHFFFAOYSA-N
Formula: C22H20O6
Molecular Weight: 380.391434
Exact Mass: 380.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Khalid, S.A., Waterman, P.G. Phytochemistry (1983) 22, 1001-3
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 3-Phenylcoumarins; 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) | 160.6 |
| 3 (C) | 102.2 |
| 4 (C) | 162.9 |
| 5 (C) | 154.3 |
| 6 (C) | 111 |
| 7 (C) | 157.6 |
| 8 (CH) | 109.9 |
| 9 (C) | 154 |
| 10 (C) | 104.2 |
| 1' (C) | 123.8 |
| 2' (CH) | 132.2 |
| 3' (CH) | 113.9 |
| 4' (C) | 159.4 |
| 5' (CH) | 113.9 |
| 6' (CH) | 132.2 |
| 5a (CH3) | 64.6 |
| 6a (CH) | 115.4 |
| 6b (CH) | 131.8 |
| 6c (C) | 77.8 |
| 6d (CH3) | 28.4 |
| 6e (CH3) | 28.1 |
| 4'a (CH3) | 55.4 |
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.