Spektraris NMR
Withametelin C
Common Name: Withametelin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O6/c1-15-12-22(34-25(32)16(15)2)18(14-29)20-8-7-19-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h17-22,24,29,31,33H,5-14H2,1-4H3/t17-,18+,19-,20+,21-,22+,24-,26-,27-,28-/m0/s1
InChIKey: InChIKey=WJIFGCPZQNCQCO-XZSNOIHQSA-N
Formula: C28H42O6
Molecular Weight: 474.630546
Exact Mass: 474.298139
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yang, B.Y., Wang, Q.H., Xia, Y.G., Feng, W.S., Kuang, H.X. Helv Chim Acta (2007) 90, 1522-8
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) | 213.2 |
| 2 (CH2) | 37 |
| 3 (CH2) | 20.5 |
| 4 (CH2) | 30.2 |
| 5 (C) | 77.8 |
| 6 (CH) | 74.2 |
| 7 (CH2) | 33.8 |
| 8 (CH) | 29.7 |
| 9 (CH) | 40.6 |
| 10 (C) | 53.8 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 38.9 |
| 13 (C) | 42.7 |
| 14 (CH) | 55.5 |
| 15 (CH2) | 24.1 |
| 16 (CH2) | 26.6 |
| 17 (CH) | 47 |
| 18 (CH3) | 12.6 |
| 19 (CH3) | 16.7 |
| 20 (CH) | 45.3 |
| 21 (CH2) | 58.1 |
| 22 (CH) | 77.4 |
| 23 (CH2) | 32.2 |
| 24 (C) | 151.4 |
| 25 (C) | 120.3 |
| 26 (C) | 166.3 |
| 27 (CH3) | 12.5 |
| 28 (CH3) | 20.3 |
