Spektraris NMR
Turkesterone
Common Name: Turkesterone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17+,18-,19+,20-,21+,22+,24-,25+,26+,27+/m0/s1
InChIKey: InChIKey=WSBAGDDNVWTLOM-XHZKDPLLSA-N
Formula: C27H44O8
Molecular Weight: 496.634502
Exact Mass: 496.303618
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Darwish, F.M., Reinecke, M.G Phytochemistry (2003) 62, 1179-84
Species:
Notes: Family : Steroids, Type : Cholestanes; 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 (CH2) | 36.7 |
| 2 (CH) | 66.9 |
| 3 (CH) | 67.1 |
| 4 (CH2) | 31.8 |
| 5 (CH) | 50.4 |
| 6 (C) | 203.5 |
| 7 (CH) | 120.7 |
| 8 (C) | 165.9 |
| 9 (CH) | 40.9 |
| 10 (C) | 38 |
| 11 (CH) | 69.2 |
| 12 (CH2) | 41.5 |
| 13 (C) | 47.2 |
| 14 (C) | 83.4 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 20.6 |
| 17 (CH) | 49 |
| 18 (CH3) | 17.5 |
| 19 (CH3) | 24.1 |
| 20 (C) | 76.5 |
| 21 (CH3) | 21.2 |
| 22 (CH) | 76.6 |
| 23 (CH2) | 26.4 |
| 24 (CH2) | 41.6 |
| 25 (C) | 69.3 |
| 26 (CH3) | 29.2 |
| 27 (CH3) | 30.1 |
