Spektraris NMR
5-O-Methoxywithaphysalin R
Common Name: 5-O-Methoxywithaphysalin R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O7/c1-16-14-24(36-25(33)17(16)2)28(4)21-10-9-20-18-15-23(32)30(35-6)12-7-8-22(31)27(30,3)19(18)11-13-29(20,21)26(34-5)37-28/h7-8,18-21,23-24,26,32H,9-15H2,1-6H3/t18-,19+,20+,21-,23-,24-,26+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=SINFZVOONTYVFG-ZLWPEUFGSA-N
Formula: C30H42O7
Molecular Weight: 514.651423
Exact Mass: 514.293054
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) | 204.1 |
| 2 (CH) | 129.2 |
| 3 (CH) | 139.4 |
| 4 (CH2) | 27.5 |
| 5 (C) | 81.4 |
| 6 (CH) | 68.4 |
| 7 (CH2) | 25.5 |
| 8 (CH) | 31.5 |
| 9 (CH) | 40.6 |
| 10 (C) | 52.4 |
| 11 (CH2) | 29.6 |
| 12 (CH2) | 35.1 |
| 13 (C) | 58.4 |
| 14 (CH) | 56 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 26.2 |
| 17 (CH) | 56.4 |
| 18 (CH) | 108.6 |
| 19 (CH3) | 15.6 |
| 20 (C) | 84.8 |
| 21 (CH3) | 20.8 |
| 22 (CH) | 80.8 |
| 23 (CH2) | 31.3 |
| 24 (C) | 147.9 |
| 25 (C) | 122.6 |
| 26 (C) | 166 |
| 27 (CH3) | 12.5 |
| 28 (CH3) | 20.3 |
| 5a (CH3) | 55.7 |
| 18a (CH3) | 49.7 |
