Spektraris NMR
5,20,26-Trihydroxyecdysone 20,22-acetonide
Common Name: 5,20,26-Trihydroxyecdysone 20,22-acetonide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O9/c1-24(2)38-23(9-10-25(3,35)16-31)28(6,39-24)21-8-12-29(36)18-13-22(34)30(37)15-20(33)19(32)14-27(30,5)17(18)7-11-26(21,29)4/h13,17,19-21,23,31-33,35-37H,7-12,14-16H2,1-6H3/t17-,19-,20+,21-,23-,25?,26+,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=ZJNBRMJTFYQDIR-LZRVVNAVSA-N
Formula: C30H48O9
Molecular Weight: 552.697877
Exact Mass: 552.329833
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) | 34.3 |
| 2 (CH) | 68.6 |
| 3 (CH) | 70.4 |
| 4 (CH2) | 36.3 |
| 5 (C) | 80.4 |
| 6 (C) | 202.5 |
| 7 (CH) | 120.7 |
| 8 (C) | 167.4 |
| 9 (CH) | 39.2 |
| 10 (C) | 45.5 |
| 11 (CH2) | 22.65 |
| 12 (CH2) | 32.6 |
| 13 (C) | 48.7 |
| 14 (C) | 85.3 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 22.5 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 17.1 |
| 20 (C) | 86 |
| 21 (CH3) | 22.7 |
| 22 (CH) | 83.6 |
| 23 (CH2) | 24 |
| 24 (CH2) | 37.2 |
| 25 (C) | 73.6 |
| 26 (CH3) | 23.9 |
| 27 (CH2) | 70.7 |
| 22a (C) | 108.2 |
| 22b (CH3) | 27.3 |
| 22c (CH3) | 29.5 |
