Spektraris NMR
1β,11β-Dihydroxyresibufogenin
Common Name: 1β,11β-Dihydroxyresibufogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/c1-22-10-17(26)21-15(5-4-13-7-14(25)8-18(27)23(13,21)2)24(22)19(30-24)9-16(22)12-3-6-20(28)29-11-12/h3,6,11,13-19,21,25-27H,4-5,7-10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-,21-,22-,23-,24-/m1/s1
InChIKey: InChIKey=QCTFWBFXJRVVTD-VGMWGSITSA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
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 (CH) | 73.5 |
| 2 (CH2) | 32.1 |
| 3 (CH) | 67.9 |
| 4 (CH2) | 33.4 |
| 5 (CH) | 29.7 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 20.6 |
| 8 (CH) | 28.4 |
| 9 (CH) | 43.7 |
| 10 (C) | 40.1 |
| 11 (CH) | 67 |
| 12 (CH2) | 47.3 |
| 13 (C) | 44.6 |
| 14 (C) | 75 |
| 15 (CH) | 59.6 |
| 16 (CH2) | 32.5 |
| 17 (CH) | 48.3 |
| 18 (CH3) | 19.6 |
| 19 (CH3) | 22.7 |
| 20 (C) | 121.8 |
| 21 (CH) | 149.6 |
| 22 (CH) | 146.8 |
| 23 (CH) | 115.3 |
| 24 (C) | 162 |
