Spektraris NMR
9a,20-Dihydroxyecdysone
Common Name: 9a,20-Dihydroxyecdysone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O8/c1-22(2,32)8-7-21(31)25(5,33)19-6-9-26(34)20-13-16(28)15-12-17(29)18(30)14-24(15,4)27(20,35)11-10-23(19,26)3/h13,15,17-19,21,29-35H,6-12,14H2,1-5H3/t15-,17+,18-,19-,21+,23+,24-,25+,26+,27+/m0/s1
InChIKey: InChIKey=AHHRNGCAWAPZKG-GLRNUJIGSA-N
Formula: C27H44O8
Molecular Weight: 496.634502
Exact Mass: 496.303618
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Pongracz, Z., Bathori, M., Toth, G., Simon, A., Mak, M., Mathe, I. J Nat Prod (2003) 66, 450-1
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) | 37.6 |
| 2 (CH) | 69.7 |
| 3 (CH) | 69.8 |
| 4 (CH2) | 36.3 |
| 5 (CH) | 51.4 |
| 6 (C) | 206.7 |
| 7 (CH) | 123.8 |
| 8 (C) | 162.6 |
| 9 (C) | 76.6 |
| 10 (C) | 43 |
| 11 (CH2) | 30.9 |
| 12 (CH2) | 29.6 |
| 13 (C) | 49.1 |
| 14 (C) | 87.2 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 21.4 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 18.5 |
| 19 (CH3) | 29.6 |
| 20 (C) | 78 |
| 21 (CH3) | 21.2 |
| 22 (CH) | 78.6 |
| 23 (CH2) | 27.5 |
| 24 (CH2) | 42.5 |
| 25 (C) | 71.4 |
| 26 (CH3) | 29.1 |
| 27 (CH3) | 29.9 |
