Spektraris NMR
2-Deoxy-5,20,26-trihydroxyecdysone 20,22-acetonide
Common Name: 2-Deoxy-5,20,26-trihydroxyecdysone 20,22-acetonide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O8/c1-24(2)37-23(10-11-25(3,34)17-31)28(6,38-24)21-9-14-29(35)20-15-22(33)30(36)16-18(32)7-12-26(30,4)19(20)8-13-27(21,29)5/h15,18-19,21,23,31-32,34-36H,7-14,16-17H2,1-6H3/t18-,19-,21-,23-,25?,26+,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=MENIOZHCBSKIIJ-QAGXYWGRSA-N
Formula: C30H48O8
Molecular Weight: 536.698473
Exact Mass: 536.334919
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Toth, N., Simon, A., Toth, G., Kele, Z., Hunyadi, A., Bathori, M. J Nat Prod (2008) 71, 1461-3
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) | 25.6 |
| 2 (CH2) | 29.3 |
| 3 (CH) | 67.2 |
| 4 (CH2) | 36.9 |
| 5 (C) | 81.2 |
| 6 (C) | 202.5 |
| 7 (CH) | 120.7 |
| 8 (C) | 167.9 |
| 9 (CH) | 38.1 |
| 10 (C) | 43.25 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 32.6 |
| 13 (C) | 48.7 |
| 14 (C) | 85.4 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 22.5 |
| 17 (CH) | 50.6 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 17.3 |
| 20 (C) | 86 |
| 21 (CH3) | 22.7 |
| 22 (CH) | 83.6 |
| 23 (CH2) | 24.05 |
| 24 (CH2) | 37.2 |
| 25 (C) | 73.6 |
| 26 (CH3) | 23.8 |
| 27 (CH2) | 70.7 |
| 22a (C) | 108.2 |
| 22b (CH3) | 27.3 |
| 22c (CH3) | 29.5 |
