Spektraris NMR
4-Dehydroecdysterone
Common Name: 4-Dehydroecdysterone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12-13,15,19-22,29-34H,6-11,14H2,1-5H3/t15-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
InChIKey: InChIKey=ZJTLBLRDHNVYKT-PUFKVNKUSA-N
Formula: C27H42O7
Molecular Weight: 478.619215
Exact Mass: 478.293054
NMR Solvent: CD3OD
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) | 38.1 |
| 2 (CH) | 68.2 |
| 3 (CH) | 67.5 |
| 4 (CH) | 130.2 |
| 5 (C) | 146.7 |
| 6 (C) | 192.8 |
| 7 (CH) | 124.4 |
| 8 (C) | 169.5 |
| 9 (CH) | 44.6 |
| 10 (C) | 40.3 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 32.3 |
| 13 (C) | 48.6 |
| 14 (C) | 85.2 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 21.4 |
| 17 (CH) | 50.6 |
| 18 (CH3) | 18 |
| 19 (CH3) | 22.6 |
| 20 (C) | 78 |
| 21 (CH3) | 21 |
| 22 (CH) | 78.4 |
| 23 (CH2) | 27.3 |
| 24 (CH2) | 42.4 |
| 25 (C) | 71.3 |
| 26 (CH3) | 28.9 |
| 27 (CH3) | 29.7 |
