Spektraris NMR
Calaustralin
Common Name: Calaustralin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O5/c1-13(2)10-11-17-24-20(18(12-19(26)30-24)16-8-6-5-7-9-16)23(28)21-22(27)14(3)15(4)29-25(17)21/h5-10,12,14-15,28H,11H2,1-4H3/t14-,15-/m1/s1
InChIKey: InChIKey=LCHRCBXGRPWRBG-HUUCEWRRSA-N
Formula: C25H24O5
Molecular Weight: 404.456
Exact Mass: 404.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yimdjo, M.C., Azebaze, A.G., Nkengfack, A.E., Meyer, A.M., Bodo, B., Fomum, Z.T. Phytochemistry (2004) 65, 2789-95
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 160.17 |
| 3 (CH) | 113.33 |
| 4 (C) | 156.6 |
| 5 (C) | 160.82 |
| 6 (C) | 102.68 |
| 7 (C) | 159.43 |
| 8 (C) | 109.11 |
| 9 (C) | 160.98 |
| 10 (C) | 103.92 |
| 1' (C) | 139.28 |
| 2' (CH) | 127.7 |
| 3' (CH) | 128.7 |
| 4' (CH) | 128.07 |
| 5' (CH) | 128.07 |
| 6' (CH) | 127.71 |
| 6a (C) | 200.5 |
| 6b (CH) | 46.28 |
| 6c (CH) | 79.45 |
| 6ba (CH3) | 10.53 |
| 6ca (CH3) | 19.98 |
| 8a (CH2) | 21.93 |
| 8b (CH) | 121.55 |
| 8c (C) | 133.07 |
| 8d (CH3) | 26 |
| 8e (CH3) | 18 |
