Spektraris NMR
11β-Hydroxyresibufogenin
Common Name: 11β-Hydroxyresibufogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O5/c1-22-8-7-15(25)9-14(22)4-5-16-21(22)18(26)11-23(2)17(10-19-24(16,23)29-19)13-3-6-20(27)28-12-13/h3,6,12,14-19,21,25-26H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,18+,19-,21-,22+,23-,24-/m1/s1
InChIKey: InChIKey=DKXGJUGMTLSEAZ-MUOXYJKISA-N
Formula: C24H32O5
Molecular Weight: 400.50879
Exact Mass: 400.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhan, J., Guo, H., Ning, L., Zhang, Y., Guo, D. Planta Med (2006) 72, 346-50
Species:
Notes: Family : Steroids, Type : nor-Cholanes, Group : Bufanolides; 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 (CH2) | 29.9 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 66.6 |
| 4 (CH2) | 33.2 |
| 5 (CH) | 38.3 |
| 6 (CH2) | 24.9 |
| 7 (CH2) | 20.9 |
| 8 (CH) | 27.2 |
| 9 (CH) | 41.9 |
| 10 (C) | 35.7 |
| 11 (CH) | 67.4 |
| 12 (CH2) | 47.3 |
| 13 (C) | 44.7 |
| 14 (C) | 75.3 |
| 15 (CH) | 59.7 |
| 16 (CH2) | 32.2 |
| 17 (CH) | 48.4 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 27.2 |
| 20 (C) | 121.9 |
| 21 (CH) | 149.6 |
| 22 (CH) | 146.9 |
| 23 (CH) | 115.3 |
| 24 (C) | 162 |
