Spektraris NMR
Crotalarin
Common Name: Crotalarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O5/c1-20(2)8-7-13-16(25-20)9-15(22)17-18(23)14(10-24-19(13)17)11-3-5-12(21)6-4-11/h3-6,9-10,21-22H,7-8H2,1-2H3
InChIKey: InChIKey=XIQJWMALSPXBMN-UHFFFAOYSA-N
Formula: C20H18O5
Molecular Weight: 338.354676
Exact Mass: 338.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaturvedi, R., Pant, N., Garg, H.S., Bhakuni, D.S. J Nat Prod (1987) 50, 266-9
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) | 151.1 |
| 3 (C) | 124 |
| 4 (C) | 174.5 |
| 5 (C) | 158.1 |
| 6 (CH) | 94.2 |
| 7 (C) | 157.7 |
| 8 (C) | 109.1 |
| 9 (C) | 155.9 |
| 10 (C) | 106.4 |
| 1' (C) | 125.5 |
| 2' (CH) | 131.1 |
| 3' (CH) | 115.7 |
| 4' (C) | 160.7 |
| 5' (CH) | 115.7 |
| 6' (CH) | 131.1 |
| 8a (CH2) | 17.7 |
| 8b (CH2) | 31.7 |
| 8c (C) | 75.7 |
| 8d (CH3) | 27.3 |
| 8e (CH3) | 27.3 |
