Spektraris NMR
Withanolide D
Common Name: Withanolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1
InChIKey: InChIKey=SASUFNRGCZMRFD-JCUIILOWSA-N
Formula: C28H38O6
Molecular Weight: 470.598783
Exact Mass: 470.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cordero, C.P., Morantes, S.J., Paez, A., Rincon, J., Aristizabal, F.A. Fitoterapia (2009) 80, 364-8
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) | 202.1 |
| 2 (CH) | 132.3 |
| 3 (CH) | 141.8 |
| 4 (CH) | 69.9 |
| 5 (C) | 63.9 |
| 6 (CH) | 62.4 |
| 7 (CH2) | 31.1 |
| 8 (CH) | 29.2 |
| 9 (CH) | 44.1 |
| 10 (C) | 47.7 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 39.7 |
| 13 (C) | 42.7 |
| 14 (CH) | 56.5 |
| 15 (CH2) | 23.8 |
| 16 (CH2) | 21.9 |
| 17 (CH) | 54.6 |
| 18 (CH3) | 13.5 |
| 19 (CH3) | 17.3 |
| 20 (C) | 75 |
| 21 (CH3) | 20.7 |
| 22 (CH) | 80.8 |
| 23 (CH2) | 31.4 |
| 24 (C) | 148.8 |
| 25 (C) | 122 |
| 26 (C) | 166 |
| 27 (CH3) | 12.4 |
| 28 (CH3) | 20.5 |
