Spektraris NMR
isochamanetin
Common Name: isochamanetin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H18O5/c23-16-9-5-4-8-14(16)10-15-17(24)11-20-21(22(15)26)18(25)12-19(27-20)13-6-2-1-3-7-13/h1-9,11,19,23-24,26H,10,12H2
InChIKey: InChIKey=KSBALECVCJXYHU-UHFFFAOYSA-N
Formula: C22H18O5
Molecular Weight: 362.376148
Exact Mass: 362.115424
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - C.D. Hufford, W.L. Lasswell Lloydia (1978) 41, 151
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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) | 79.7 |
| 3 (CH2) | 43.6 |
| 4 (C) | 196.7 |
| 5 (C) | 162.1 |
| 6 (C) | 108.2 |
| 7 (CH) | 164.9 |
| 8 (CH) | 95.9 |
| 9 (C) | 162.1 |
| 10 (C) | 103 |
| 1' (C) | 139.9 |
| 2' (CH) | 127 |
| 3' (CH) | 129.3 |
| 4' (CH) | 129.1 |
| 5' (CH) | 129.3 |
| 6' (CH) | 127 |
| 6a (CH2) | 22.4 |
| 6b (C) | 127.5 |
| 6c (C) | 155 |
| 6d (CH) | 115.9 |
| 6e (CH) | 131.1 |
| 6f (CH) | 120.5 |
| 6g (CH) | 127.7 |
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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.