Spektraris NMR
Withaphysalin P
Common Name: Withaphysalin P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O7/c1-15-14-23(34-24(31)16(15)2)27(4)21-11-10-20(29)18-9-8-17-6-5-7-22(30)26(17,3)19(18)12-13-28(21,33)25(32)35-27/h5,7-8,18-19,21,23,33H,6,9-14H2,1-4H3/t18-,19+,21-,23-,26+,27-,28+/m1/s1
InChIKey: InChIKey=ULVNHGXVDRQFGW-GFHVMFGFSA-N
Formula: C28H34O7
Molecular Weight: 482.566425
Exact Mass: 482.230453
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) | 204.4 |
| 2 (CH) | 127.2 |
| 3 (CH) | 146 |
| 4 (CH2) | 32.8 |
| 5 (C) | 135.6 |
| 6 (CH) | 122.1 |
| 7 (CH2) | 26.5 |
| 8 (CH) | 52 |
| 9 (CH) | 36 |
| 10 (C) | 50.9 |
| 11 (CH2) | 27.5 |
| 12 (CH2) | 27.2 |
| 13 (C) | 76.7 |
| 14 (C) | 216.5 |
| 15 (CH2) | 32.9 |
| 16 (CH2) | 21.2 |
| 17 (CH) | 59.9 |
| 18 (C) | 179.5 |
| 19 (CH3) | 17.8 |
| 20 (C) | 83.3 |
| 21 (CH3) | 22.7 |
| 22 (CH) | 75.8 |
| 23 (CH2) | 30.5 |
| 24 (C) | 148.2 |
| 25 (C) | 121.3 |
| 26 (C) | 163.7 |
| 27 (CH3) | 12.1 |
| 28 (CH3) | 20.3 |
