Spektraris NMR
Cilistol F
Common Name: Cilistol F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O6/c1-17(22-16-26(3,34-6)28(5,32)24(31)35-22)29(33)15-13-20-19-11-10-18-8-7-9-23(30)27(18,4)21(19)12-14-25(20,29)2/h7,9-10,17,19-22,24,31-33H,8,11-16H2,1-6H3/t17-,19?,20?,21?,22-,24?,25+,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=SMOWMBLPGOGZBI-RWVBCDQNSA-N
Formula: C29H44O6
Molecular Weight: 488.657164
Exact Mass: 488.313789
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) | 127.9 |
| 3 (CH) | 145.8 |
| 4 (CH2) | 33.6 |
| 5 (C) | 136.3 |
| 6 (CH) | 124.9 |
| 7 (CH2) | 31.3 |
| 8 (CH) | 33.7 |
| 9 (CH) | 43.3 |
| 10 (C) | 50.8 |
| 11 (CH2) | 37.4 |
| 12 (CH2) | 32.8 |
| 13 (C) | 48.2 |
| 14 (CH) | 50.3 |
| 15 (CH2) | 23.7 |
| 16 (CH2) | 23.5 |
| 17 (C) | 85 |
| 18 (CH3) | 15.2 |
| 19 (CH3) | 18.9 |
| 20 (CH) | 43.2 |
| 21 (CH3) | 10.3 |
| 22 (CH) | 69.5 |
| 23 (CH2) | 38.6 |
| 24 (C) | 75.5 |
| 25 (C) | 77.4 |
| 26 (CH) | 98 |
| 27 (CH3) | 17.3 |
| 28 (CH3) | 15.9 |
| 24a (CH3) | 50 |
