Spektraris NMR
5a,20-Dihydroxyecdysone
Common Name: 5a,20-Dihydroxyecdysone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25+,26+,27-/m0/s1
InChIKey: InChIKey=GMFLGNRCCFYOKL-SWUYEHOHSA-N
Formula: C27H44O8
Molecular Weight: 496.634502
Exact Mass: 496.303618
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kovganko, N.V., Sokolov, S.N. Chem Nat Compd (2001) 37, 162-6
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) | 35.8 |
| 2 (CH) | 69.6 |
| 3 (CH) | 67.7 |
| 4 (CH2) | 34.4 |
| 5 (C) | 79.6 |
| 6 (C) | 200.9 |
| 7 (CH) | 119.7 |
| 8 (C) | 166.7 |
| 9 (CH) | 38.1 |
| 10 (C) | 44.6 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 31.3 |
| 13 (C) | 47.9 |
| 14 (C) | 83.9 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 21.4 |
| 17 (CH) | 49.8 |
| 18 (CH3) | 17.6 |
| 19 (CH3) | 16.9 |
| 20 (C) | 76.8 |
| 21 (CH3) | 21.1 |
| 22 (CH) | 77.4 |
| 23 (CH2) | 27.2 |
| 24 (CH2) | 42.3 |
| 25 (C) | 69.6 |
| 26 (CH3) | 29.6 |
| 27 (CH3) | 29.8 |
