Spektraris NMR
Resibufogenin 12-O-β-D-glucoside
Common Name: Resibufogenin 12-O-β-D-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O10/c1-28-8-7-16(32)9-15(28)4-5-17-19(28)11-21(39-27-26(36)25(35)24(34)20(12-31)38-27)29(2)18(10-22-30(17,29)40-22)14-3-6-23(33)37-13-14/h3,6,13,15-22,24-27,31-32,34-36H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19+,20-,21-,22-,24-,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey: InChIKey=GOFLSFLPLZNRJD-TYSBPFBSSA-N
Formula: C30H42O10
Molecular Weight: 562.649638
Exact Mass: 562.277798
NMR Solvent: DMSO-d6
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) | 29.4 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 64.5 |
| 4 (CH2) | 33 |
| 5 (CH) | 35.6 |
| 6 (CH2) | 25.6 |
| 7 (CH2) | 20.4 |
| 8 (CH) | 32.5 |
| 9 (CH) | 33.5 |
| 10 (C) | 34.9 |
| 11 (CH2) | 26.2 |
| 12 (CH) | 81.3 |
| 13 (C) | 49.8 |
| 14 (C) | 73.6 |
| 15 (CH) | 59.6 |
| 16 (CH2) | 31.7 |
| 17 (CH) | 41.1 |
| 18 (CH3) | 12.2 |
| 19 (CH3) | 23.5 |
| 20 (C) | 122.3 |
| 21 (CH) | 150.6 |
| 22 (CH) | 147.6 |
| 23 (CH) | 114.1 |
| 24 (C) | 161.1 |
| 1' (CH) | 101.6 |
| 2' (CH) | 73.5 |
| 3' (CH) | 76.8 |
| 4' (CH) | 71 |
| 5' (CH) | 76.5 |
| 6' (CH2) | 61.2 |
