Spektraris NMR
Somniferanolide
Common Name: Somniferanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O6/c1-14-11-19(33-24(31)15(14)2)16(3)28-22(34-28)12-20-25(28,4)13-18(29)23-26(5)17(7-6-8-21(26)30)9-10-27(20,23)32/h6,8-9,16,18-20,22-23,29,32H,7,10-13H2,1-5H3/t16-,18+,19-,20-,22-,23-,25+,26-,27-,28-/m1/s1
InChIKey: InChIKey=PUBHPXXGSLGYFG-PBUXGNFPSA-N
Formula: C28H36O6
Molecular Weight: 468.582902
Exact Mass: 468.251189
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) | 200.88 |
| 2 (CH) | 126.67 |
| 3 (CH) | 149.16 |
| 4 (CH2) | 32.38 |
| 5 (C) | 139.4 |
| 6 (CH) | 126.3 |
| 7 (CH2) | 30.42 |
| 8 (C) | 82.25 |
| 9 (CH) | 42.22 |
| 10 (C) | 50.51 |
| 11 (CH) | 70.45 |
| 12 (CH2) | 40.43 |
| 13 (C) | 41.54 |
| 14 (CH) | 46.2 |
| 15 (CH2) | 24.66 |
| 16 (CH) | 61.15 |
| 17 (C) | 67.18 |
| 18 (CH3) | 7.93 |
| 19 (CH3) | 18.8 |
| 20 (CH) | 38.37 |
| 21 (CH3) | 15.43 |
| 22 (CH) | 76.52 |
| 23 (CH2) | 32.27 |
| 24 (C) | 149.16 |
| 25 (C) | 119.02 |
| 26 (C) | 164.99 |
| 27 (CH3) | 12.9 |
| 28 (CH3) | 21.04 |
