Spektraris NMR
20-Hydroxy,24-hydroxymethyl ecdysone
Common Name: 20-Hydroxy,24-hydroxymethyl ecdysone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O8/c1-24(2,34)15(14-29)10-23(33)27(5,35)22-7-9-28(36)17-11-19(30)18-12-20(31)21(32)13-25(18,3)16(17)6-8-26(22,28)4/h11,15-16,18,20-23,29,31-36H,6-10,12-14H2,1-5H3/t15-,16-,18-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1
InChIKey: InChIKey=IDVDSLXRLYXWHQ-TUVIPRGISA-N
Formula: C28H46O8
Molecular Weight: 510.661119
Exact Mass: 510.319268
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Darwish, F.M., Reinecke, M.G Phytochemistry (2003) 62, 1179-84
Species:
Notes: Family : Steroids, Type : Campestanes; 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) | 36.8 |
| 2 (CH) | 66.8 |
| 3 (CH) | 67 |
| 4 (CH2) | 31.9 |
| 5 (CH) | 48.9 |
| 6 (C) | 203 |
| 7 (CH) | 120.7 |
| 8 (C) | 165.5 |
| 9 (CH) | 33.4 |
| 10 (C) | 37.9 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 31.7 |
| 13 (C) | 47.1 |
| 14 (C) | 83.2 |
| 15 (CH2) | 30.6 |
| 16 (CH2) | 20.3 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 24.6 |
| 20 (C) | 76 |
| 21 (CH3) | 21.8 |
| 22 (CH) | 76.2 |
| 23 (CH2) | 31.1 |
| 24 (CH) | 48.9 |
| 25 (C) | 69 |
| 26 (CH3) | 30.4 |
| 27 (CH3) | 29.2 |
| 24a (CH2) | 63.3 |
