Spektraris NMR
Cilistols t
Common Name: Cilistols t
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O10/c1-16(23-14-32(3)34(5,44-32)30(42-23)43-29-28(40)27(39)26(38)24(15-35)41-29)20-8-9-21-19-7-6-17-12-18(36)13-25(37)33(17,4)22(19)10-11-31(20,21)2/h6,16,18-30,35-40H,7-15H2,1-5H3/t16-,18+,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30-,31+,32-,33-,34+/m0/s1
InChIKey: InChIKey=MNFQTDOKETXTKR-SLUKKYMLSA-N
Formula: C34H54O10
Molecular Weight: 622.78787
Exact Mass: 622.371698
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhu, X.H., Ando, J., Takagi, M., Ikeda, T., Nohara, T. Chem Pharm Bull (2001) 49, 161-4
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 (CH) | 72.7 |
| 2 (CH2) | 40.3 |
| 3 (CH) | 66.1 |
| 4 (CH2) | 43.3 |
| 5 (C) | 140.2 |
| 6 (CH) | 123.5 |
| 7 (CH2) | 32.3 |
| 8 (CH) | 41.8 |
| 9 (CH) | 41.8 |
| 10 (C) | 42.8 |
| 11 (CH2) | 24.7 |
| 12 (CH2) | 39.9 |
| 13 (C) | 42.1 |
| 14 (CH) | 56.7 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 20.7 |
| 17 (CH) | 52.9 |
| 18 (CH3) | 11.9 |
| 19 (CH3) | 19.9 |
| 20 (CH) | 39.3 |
| 21 (CH3) | 13.3 |
| 22 (CH) | 67 |
| 23 (CH2) | 30.2 |
| 24 (C) | 61.2 |
| 25 (C) | 61.8 |
| 26 (CH) | 95.5 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 18.7 |
| 1' (CH) | 99.9 |
| 2' (CH) | 74.6 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.8 |
