Spektraris NMR
Withasomnilide
Common Name: Withasomnilide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-14-13-18(33-24(30)15(14)2)16(3)17-8-9-19-25(17,4)12-10-20-26(5)21(29)7-6-11-27(26,31)22-23(34-22)28(19,20)32/h6-7,16-20,22-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19+,20+,22+,23-,25+,26-,27-,28+/m0/s1
InChIKey: InChIKey=PCIGVPZLKMKHGY-DIEZLPOKSA-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) | 203.02 |
| 2 (CH) | 128.99 |
| 3 (CH) | 139.61 |
| 4 (CH2) | 36.02 |
| 5 (C) | 73.22 |
| 6 (CH) | 56.27 |
| 7 (CH) | 57.11 |
| 8 (C) | 84.57 |
| 9 (CH) | 35.27 |
| 10 (C) | 50.95 |
| 11 (CH2) | 21.65 |
| 12 (CH2) | 36.76 |
| 13 (C) | 42.98 |
| 14 (CH) | 45.89 |
| 15 (CH2) | 22.87 |
| 16 (CH2) | 32.81 |
| 17 (CH) | 48.72 |
| 18 (CH3) | 9.47 |
| 19 (CH3) | 14.66 |
| 20 (CH) | 36.76 |
| 21 (CH3) | 15.55 |
| 22 (CH) | 78.75 |
| 23 (CH2) | 32.49 |
| 24 (C) | 150.33 |
| 25 (C) | 121.44 |
| 26 (C) | 167.26 |
| 27 (CH3) | 12.28 |
| 28 (CH3) | 20.42 |
