Spektraris NMR
Aristolochic acid I
Common Name: Aristolochic acid I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
InChIKey: InChIKey=BBFQZRXNYIEMAW-UHFFFAOYSA-N
Formula: C17H11N1O7
Molecular Weight: 341.272436
Exact Mass: 341.053552
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Nascimento, I.R., Lopes, L.M. Phytochemistry (2003) 63, 953-7
Species:
Notes: Family : Aromatics, Type : Phenanthrenes; 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 (C) | 124.5 |
| 2 (CH) | 112.2 |
| 3 (C) | 146 |
| 4 (C) | 146.2 |
| 4a (C) | 116.9 |
| 4b (C) | 129.8 |
| 5 (CH) | 118.4 |
| 6 (CH) | 131.5 |
| 7 (CH) | 108.7 |
| 8 (C) | 156.3 |
| 8a (C) | 118.8 |
| 9 (CH) | 119.5 |
| 10 (C) | 145.7 |
| 10a (C) | 117.3 |
| 11 (C) | 167.9 |
| 3a (CH2) | 103 |
| 8b (CH3) | 56.2 |
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.