Spektraris NMR
Cilistols v
Common Name: Cilistols v
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H56O9/c1-17(18(2)16-42-32-31(41)30(40)29(39)27(15-35)43-32)12-26(37)19(3)23-8-9-24-22-7-6-20-13-21(36)14-28(38)34(20,5)25(22)10-11-33(23,24)4/h6,19,21-32,35-41H,7-16H2,1-5H3/b18-17-/t19-,21+,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-/m0/s1
InChIKey: InChIKey=XWYAVJLVMRZBFM-YFKVRHPMSA-N
Formula: C34H56O9
Molecular Weight: 608.804347
Exact Mass: 608.392433
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 |
| 5 (C) | 140.2 |
| 6 (CH) | 123.5 |
| 7 (CH2) | 32.3 |
| 8 (CH) | 41.7 |
| 9 (CH) | 41.7 |
| 10 (C) | 42.1 |
| 11 (CH2) | 24.9 |
| 12 (CH2) | 39.9 |
| 13 (C) | 42.9 |
| 14 (CH) | 56.6 |
| 15 (CH2) | 27.9 |
| 16 (CH2) | 20.7 |
| 17 (CH) | 53.6 |
| 18 (CH3) | 12 |
| 19 (CH3) | 19.9 |
| 20 (CH) | 43.3 |
| 21 (CH3) | 13 |
| 22 (CH) | 71 |
| 23 (CH2) | 35.1 |
| 24 (C) | 127.8 |
| 25 (C) | 132.9 |
| 26 (CH2) | 70.1 |
| 27 (CH3) | 17.8 |
| 28 (CH3) | 19.5 |
| 1' (CH) | 103.5 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.8 |
