Spektraris NMR
Withaphysanolide A
Common Name: Withaphysanolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O5/c1-15-14-23(31-24(29)16(15)2)26(4)19-12-13-30-27(32-26)20-9-8-17-6-5-7-22(28)25(17,3)18(20)10-11-21(19)27/h5,7-8,18-21,23H,6,9-14H2,1-4H3/t18-,19-,20+,21?,23+,25-,26+,27-/m0/s1
InChIKey: InChIKey=LKSAQFIHVGLEAE-SIZSHQLISA-N
Formula: C27H34O5
Molecular Weight: 438.556879
Exact Mass: 438.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, L., Ali, M., Arfan, M., Lou, L.G., Hu, L.H. Tetrahedron Lett (2007) 48, 449-52
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) | 204.1 |
| 2 (CH) | 127.8 |
| 3 (CH) | 145.4 |
| 4 (CH2) | 33.4 |
| 5 (C) | 134.1 |
| 6 (CH) | 125.3 |
| 7 (CH2) | 23 |
| 8 (CH) | 43.4 |
| 9 (CH) | 38.5 |
| 10 (C) | 50.4 |
| 11 (CH2) | 28.3 |
| 12 (CH2) | 22.9 |
| 13 (CH) | 46.1 |
| 14 (C) | 104.9 |
| 15 (CH2) | 59.3 |
| 16 (CH2) | 21.4 |
| 17 (CH) | 42.1 |
| 19 (CH3) | 18.7 |
| 20 (C) | 83.9 |
| 21 (CH3) | 20.6 |
| 22 (CH) | 78.2 |
| 23 (CH2) | 32.6 |
| 24 (C) | 147.4 |
| 25 (C) | 122.6 |
| 26 (C) | 165.8 |
| 27 (CH3) | 12.5 |
| 28 (CH3) | 20.3 |
