Spektraris NMR
12β-Hydroxy-3-epi-resibufogenin
Common Name: 12β-Hydroxy-3-epi-resibufogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O5/c1-22-8-7-15(25)9-14(22)4-5-16-18(22)10-19(26)23(2)17(11-20-24(16,23)29-20)13-3-6-21(27)28-12-13/h3,6,12,14-20,25-26H,4-5,7-11H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,22+,23+,24-/m1/s1
InChIKey: InChIKey=DUDKFSOZKFNNCE-ONYHYSBGSA-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) | 34.8 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 71.3 |
| 4 (CH2) | 36 |
| 5 (CH) | 41.4 |
| 6 (CH2) | 26.1 |
| 7 (CH2) | 21 |
| 8 (CH) | 33 |
| 9 (CH) | 35.4 |
| 10 (C) | 34.6 |
| 11 (CH2) | 30.4 |
| 12 (CH) | 75 |
| 13 (C) | 51 |
| 14 (C) | 73.7 |
| 15 (CH) | 59.7 |
| 16 (CH2) | 32.2 |
| 17 (CH) | 42.8 |
| 18 (CH3) | 11.1 |
| 19 (CH3) | 23.1 |
| 20 (C) | 121.9 |
| 21 (CH) | 150.3 |
| 22 (CH) | 146.9 |
| 23 (CH) | 115.2 |
| 24 (C) | 162 |
