Spektraris NMR
Irisoquin-A
Common Name: Irisoquin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)20(24)18-21(27-2)23(19)26/h18,25H,3-17H2,1-2H3
InChIKey: InChIKey=WQIANGZKDMBPFV-UHFFFAOYSA-N
Formula: C23H38O4
Molecular Weight: 378.546294
Exact Mass: 378.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mahmood U., Kaul V.K., Jirovetz L. Phytochemistry (2002) 61, 923-6
Species:
Notes: Family : Aromatics, Type : Benzoquinones; 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) | 182.85 |
| 2 (C) | 151.54 |
| 3 (C) | 119.29 |
| 4 (C) | 181.71 |
| 5 (C) | 161.1 |
| 6 (CH) | 102.17 |
| 3a (CH2) | 28.04 |
| 3b (CH2) | 28.04 |
| 3c (CH2) | 29.5 |
| 3d (CH2) | 29.5 |
| 3e (CH2) | 29.5 |
| 3f (CH2) | 29.5 |
| 3g (CH2) | 29.5 |
| 3h (CH2) | 29.5 |
| 3i (CH2) | 29.5 |
| 3j (CH2) | 29.5 |
| 3k (CH2) | 29.5 |
| 3l (CH2) | 29.5 |
| 3m (CH2) | 29.5 |
| 3n (CH2) | 31.91 |
| 3o (CH2) | 22.7 |
| 3p (CH3) | 14.14 |
| 5a (CH3) | 56.76 |
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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.