Spektraris NMR
14,18-Di-O-acetylwithaphysalin C
Common Name: 14,18-Di-O-acetylwithaphysalin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O9/c1-17-16-26(38-27(36)18(17)2)30(6)24-13-15-32(39-20(4)34)23-11-10-21-8-7-9-25(35)29(21,5)22(23)12-14-31(24,41-32)28(40-30)37-19(3)33/h7,9-10,22-24,26,28H,8,11-16H2,1-6H3/t22?,23-,24-,26-,28+,29+,30-,31-,32?/m1/s1
InChIKey: InChIKey=VIFILJAUJSFGCQ-BYEPUWPZSA-N
Formula: C32H40O9
Molecular Weight: 568.655823
Exact Mass: 568.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, L., Gan, X.W., He, Q.P., Bai, H.Y., Arfan, M., Lou, F.C., Hu, L.H. Helv Chim Acta (2007) 90, 1406-19
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) | 203.7 |
| 2 (CH) | 127.8 |
| 3 (CH) | 144.5 |
| 4 (CH2) | 33.1 |
| 5 (C) | 135.7 |
| 6 (CH) | 123.9 |
| 7 (CH2) | 26.8 |
| 8 (CH) | 41 |
| 9 (CH) | 42.9 |
| 10 (C) | 52.8 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 45.6 |
| 13 (C) | 82.1 |
| 14 (C) | 108.7 |
| 15 (CH2) | 27.7 |
| 16 (CH2) | 16.5 |
| 17 (CH) | 57.1 |
| 18 (CH) | 104.7 |
| 19 (CH3) | 18.1 |
| 20 (C) | 87.7 |
| 21 (CH3) | 26.4 |
| 22 (CH) | 78.1 |
| 23 (CH2) | 31.8 |
| 24 (C) | 148 |
| 25 (C) | 121.8 |
| 26 (C) | 165.3 |
| 27 (CH3) | 12.4 |
| 28 (CH3) | 20.3 |
| 14a (C) | 169.9 |
| 14b (CH3) | 21 |
| 18a (C) | 168.5 |
| 18b (CH3) | 22.5 |
