Spektraris NMR
20-Hydroxyecdysone
Common Name: 20-Hydroxyecdysone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
InChIKey: InChIKey=NKDFYOWSKOHCCO-YPVLXUMRSA-N
Formula: C27H44O7
Molecular Weight: 480.635097
Exact Mass: 480.308704
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Darwish, F.M., Reinecke, M.G Phytochemistry (2003) 62, 1179-84
Species:
Notes: Family : Steroids, Type : Cholestanes; 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) | 37.4 |
| 2 (CH) | 68.8 |
| 3 (CH) | 68.6 |
| 4 (CH2) | 32.9 |
| 5 (CH) | 51.8 |
| 6 (C) | 206.5 |
| 7 (CH) | 122.2 |
| 8 (C) | 168 |
| 9 (CH) | 35.5 |
| 10 (C) | 39.3 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 32.6 |
| 13 (C) | 48.7 |
| 14 (C) | 85.3 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 21.6 |
| 17 (CH) | 50.6 |
| 18 (CH3) | 18.1 |
| 19 (CH3) | 24.5 |
| 20 (C) | 78 |
| 21 (CH3) | 21.1 |
| 22 (CH) | 78.5 |
| 23 (CH2) | 27.4 |
| 24 (CH2) | 42.4 |
| 25 (C) | 71.4 |
| 26 (CH3) | 29.8 |
| 27 (CH3) | 29 |
