Spektraris NMR
Withasomniferanolide
Common Name: Withasomniferanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-14-11-20(34-25(32)15(14)2)16(3)23-18(29)12-21-26(23,4)13-19(30)24-27(5)17(7-6-8-22(27)31)9-10-28(21,24)33/h6,8-9,16,18-21,23-24,29-30,33H,7,10-13H2,1-5H3/t16-,18+,19+,20-,21-,23+,24-,26+,27-,28-/m1/s1
InChIKey: InChIKey=ZBDIHBZTASPJMQ-QXYBTRMGSA-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) | 202.37 |
| 2 (CH) | 127.61 |
| 3 (CH) | 150.56 |
| 4 (CH2) | 32.33 |
| 5 (C) | 140.89 |
| 6 (CH) | 128.3 |
| 7 (CH2) | 29.14 |
| 8 (C) | 82.53 |
| 9 (CH) | 42.66 |
| 10 (C) | 50.68 |
| 11 (CH) | 68.37 |
| 12 (CH2) | 40.28 |
| 13 (C) | 41.72 |
| 14 (CH) | 49.4 |
| 15 (CH2) | 24.02 |
| 16 (CH) | 78.79 |
| 17 (CH) | 49.97 |
| 18 (CH3) | 9.26 |
| 19 (CH3) | 20.11 |
| 20 (CH) | 39.24 |
| 21 (CH3) | 15.26 |
| 22 (CH) | 75.35 |
| 23 (CH2) | 32.04 |
| 24 (C) | 150.56 |
| 25 (C) | 120.46 |
| 26 (C) | 166.59 |
| 27 (CH3) | 14.25 |
| 28 (CH3) | 22.17 |
