Spektraris NMR
Somniferawithanolide
Common Name: Somniferawithanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-16-14-23(34-24(31)17(16)2)26(4,32)20-8-9-21-27(20,15-29)12-11-19-25(3)18(6-5-7-22(25)30)10-13-28(19,21)33/h5,7,10,19-21,23,29,32-33H,6,8-9,11-15H2,1-4H3/t19-,20-,21-,23-,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=SKIBMZRHZQNLCV-IMWMJUCFSA-N
Formula: C28H38O6
Molecular Weight: 470.598783
Exact Mass: 470.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ali, M., Shuaib, M., Ansari, S.H. Phytochemistry (1997) 44, 1163-8
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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 (C) | 201.05 |
| 2 (CH) | 126.3 |
| 3 (CH) | 149.2 |
| 4 (CH2) | 33.64 |
| 5 (C) | 139.78 |
| 6 (CH) | 128.67 |
| 7 (CH2) | 30.42 |
| 8 (C) | 82.2 |
| 9 (CH) | 42.1 |
| 10 (C) | 48.61 |
| 11 (CH2) | 21.04 |
| 12 (CH2) | 40.43 |
| 13 (C) | 41.37 |
| 14 (CH) | 48.61 |
| 15 (CH2) | 24.66 |
| 16 (CH2) | 31.83 |
| 17 (CH) | 49.3 |
| 18 (CH2) | 61.15 |
| 19 (CH3) | 18.95 |
| 20 (C) | 80.9 |
| 21 (CH3) | 21.04 |
| 22 (CH) | 76.5 |
| 23 (CH2) | 32.3 |
| 24 (C) | 149.2 |
| 25 (C) | 120.65 |
| 26 (C) | 165 |
| 27 (CH3) | 13.93 |
| 28 (CH3) | 22.7 |
