Spektraris NMR
(20R)-5b,11a,20-Trihydroxyecdysone
Common Name: (20R)-5b,11a,20-Trihydroxyecdysone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O9/c1-22(2,33)8-7-19(31)25(5,34)18-6-9-26(35)14-10-20(32)27(36)13-16(29)15(28)11-24(27,4)21(14)17(30)12-23(18,26)3/h10,15-19,21,28-31,33-36H,6-9,11-13H2,1-5H3/t15-,16+,17+,18-,19+,21+,23+,24+,25+,26+,27+/m0/s1
InChIKey: InChIKey=BTGMYEUBROEELM-LFRFUCKDSA-N
Formula: C27H44O9
Molecular Weight: 512.633907
Exact Mass: 512.298533
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sautour, M., Canon, F., Miyamoto, T., Dongmo, A., Lacaille-Dubois, M.-A. Biochem Syst Ecol (2008) 36, 559-63
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) | 34.7 |
| 2 (CH) | 67.5 |
| 3 (CH) | 69 |
| 4 (CH2) | 41.5 |
| 5 (C) | 79.6 |
| 6 (C) | 201 |
| 7 (CH) | 120.2 |
| 8 (C) | 164.1 |
| 9 (CH) | 45.3 |
| 10 (C) | 45 |
| 11 (CH) | 69 |
| 12 (CH2) | 43 |
| 13 (C) | 47.5 |
| 14 (C) | 83.7 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 20.7 |
| 17 (CH) | 49.2 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 23.8 |
| 20 (C) | 76.7 |
| 21 (CH3) | 20.6 |
| 22 (CH) | 77.1 |
| 23 (CH2) | 35.5 |
| 24 (CH2) | 41.5 |
| 25 (C) | 69.8 |
| 26 (CH3) | 29.1 |
| 27 (CH3) | 29.1 |
