Spektraris NMR
Somniwithanolide
Common Name: Somniwithanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O7/c1-15-11-23(35-25(33)17(15)13-29)27(3,34)21-8-7-19-24-18(9-10-28(19,21)14-30)26(2)16(12-20(24)31)5-4-6-22(26)32/h4-6,18-21,23-24,29-31,34H,7-14H2,1-3H3/t18-,19-,20-,21+,23+,24+,26-,27+,28+/m0/s1
InChIKey: InChIKey=NWUAKMPVJFUHFK-CRLMNGAHSA-N
Formula: C28H38O7
Molecular Weight: 486.598188
Exact Mass: 486.261754
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) | 202.4 |
| 2 (CH) | 119.61 |
| 3 (CH) | 140.9 |
| 4 (CH) | 128.35 |
| 5 (C) | 160.1 |
| 6 (CH2) | 19.81 |
| 7 (CH) | 71.9 |
| 8 (CH) | 45.22 |
| 9 (CH) | 51.92 |
| 10 (C) | 55.2 |
| 11 (CH2) | 22.37 |
| 12 (CH2) | 36.81 |
| 13 (C) | 43.63 |
| 14 (CH) | 55.59 |
| 15 (CH2) | 25.2 |
| 16 (CH2) | 28.98 |
| 17 (CH) | 49.97 |
| 18 (CH2) | 62.34 |
| 19 (CH3) | 20.1 |
| 20 (C) | 78.78 |
| 21 (CH3) | 19.81 |
| 22 (CH) | 75.35 |
| 23 (CH2) | 33.78 |
| 24 (C) | 150.5 |
| 25 (C) | 121.1 |
| 26 (C) | 166.1 |
| 27 (CH2) | 56.65 |
| 28 (CH3) | 18.77 |
