Spektraris NMR
Cilistol G
Common Name: Cilistol G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O6/c1-16(21-15-25(3,31)27(5,32)23(30)34-21)28(33)14-12-19-18-10-9-17-7-6-8-22(29)26(17,4)20(18)11-13-24(19,28)2/h6,8-9,16,18-21,23,30-33H,7,10-15H2,1-5H3/t16-,18?,19?,20?,21-,23?,24+,25-,26+,27-,28+/m1/s1
InChIKey: InChIKey=DLJKJPONFBSXHR-BBZUTWRQSA-N
Formula: C28H42O6
Molecular Weight: 474.630546
Exact Mass: 474.298139
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhu X.H., Takagi M., Ikeda T., Midzuki K., Nohara T. Phytochemistry (2001) 56, 741-5
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) | 203.9 |
| 2 (CH) | 128 |
| 3 (CH) | 145.8 |
| 4 (CH2) | 33.6 |
| 5 (C) | 136.4 |
| 6 (CH) | 124.9 |
| 7 (CH2) | 31.3 |
| 8 (CH) | 33.8 |
| 9 (CH) | 43.4 |
| 10 (C) | 50.8 |
| 11 (CH2) | 37.4 |
| 12 (CH2) | 32.9 |
| 13 (C) | 48.3 |
| 14 (CH) | 50.7 |
| 15 (CH2) | 24 |
| 16 (CH2) | 24.2 |
| 17 (C) | 85.1 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 19 |
| 20 (CH) | 43.8 |
| 21 (CH3) | 10.5 |
| 22 (CH) | 70.1 |
| 23 (CH2) | 41.1 |
| 24 (C) | 75.3 |
| 25 (C) | 74.5 |
| 26 (CH) | 98.4 |
| 27 (CH3) | 16.2 |
| 28 (CH3) | 22.6 |
