Spektraris NMR
Cilistepoxide
Common Name: Cilistepoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O6/c1-15(19-14-24(3)26(5,34-24)22(30)32-19)27(31)12-9-17-16-13-21-28(33-21)10-6-7-20(29)25(28,4)18(16)8-11-23(17,27)2/h6-7,15-19,21-22,30-31H,8-14H2,1-5H3/t15-,16+,17+,18+,19-,21+,22-,23+,24+,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=UVEUQEVURPOETA-NXNGHOQNSA-N
Formula: C28H40O6
Molecular Weight: 472.614665
Exact Mass: 472.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Niero, R., Da Silva, I.T., Tonial, G.C., Santos Camacho, B.D., Gacs-Baitz, E., Monache, G.D., Monache, F.D. Nat Prod Res (2006) 20, 1164-8
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 |
| 2 (CH) | 129.7 |
| 3 (CH) | 142.4 |
| 4 (CH2) | 34.3 |
| 5 (C) | 64.9 |
| 6 (CH) | 58.9 |
| 7 (CH2) | 29.1 |
| 8 (CH) | 31.3 |
| 9 (CH) | 38 |
| 10 (C) | 48.5 |
| 11 (CH2) | 36.9 |
| 12 (CH2) | 32.3 |
| 13 (C) | 48 |
| 14 (CH) | 50.8 |
| 15 (CH2) | 23.9 |
| 16 (CH2) | 22.7 |
| 17 (C) | 85.4 |
| 18 (CH3) | 15.1 |
| 19 (CH3) | 19.1 |
| 20 (CH) | 43.1 |
| 21 (CH3) | 9.7 |
| 22 (CH) | 65.8 |
| 23 (CH2) | 32.9 |
| 24 (C) | 65.6 |
| 25 (C) | 63.7 |
| 26 (CH) | 91.9 |
| 27 (CH3) | 15.7 |
| 28 (CH3) | 16.7 |
