Spektraris NMR
20-Hydroxyecdysone-20,22-monoacetonide
Common Name: 20-Hydroxyecdysone-20,22-monoacetonide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O7/c1-25(2,34)11-10-24-29(7,37-26(3,4)36-24)23-9-13-30(35)18-14-20(31)19-15-21(32)22(33)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17-,19-,21+,22-,23-,24+,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=GXNNYSDWRVKVJY-VUYJMULXSA-N
Formula: C30H48O7
Molecular Weight: 520.699068
Exact Mass: 520.340004
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Darwish, F.M., Reinecke, M.G Phytochemistry (2003) 62, 1179-84
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) | 37.1 |
| 2 (CH) | 66.5 |
| 3 (CH) | 66.3 |
| 4 (CH2) | 32.9 |
| 5 (CH) | 49.5 |
| 6 (C) | 204.4 |
| 7 (CH) | 120 |
| 8 (C) | 165.5 |
| 9 (CH) | 35.1 |
| 10 (C) | 40 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 30.6 |
| 13 (C) | 48.9 |
| 14 (C) | 83.1 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 20.5 |
| 17 (CH) | 48.2 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 22.3 |
| 20 (C) | 83.6 |
| 21 (CH3) | 22.5 |
| 22 (CH) | 81.1 |
| 23 (CH2) | 26.8 |
| 24 (CH2) | 40.1 |
| 25 (C) | 69.1 |
| 26 (CH3) | 27.4 |
| 27 (CH3) | 27.2 |
| 20a (C) | 105.8 |
| 20b (CH3) | 26.9 |
| 20c (CH3) | 25.1 |
