Spektraris NMR
Withametelin M
Common Name: Withametelin M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O5/c1-15-25(31)33-22-13-26(15,2)32-14-18(22)20-11-10-19-17-9-8-16-6-5-7-23(29)27(16,3)21(17)12-24(30)28(19,20)4/h5-6,8,17-22,24,30H,1,7,9-14H2,2-4H3/t17-,18-,19-,20+,21-,22+,24+,26+,27-,28-/m0/s1
InChIKey: InChIKey=BJCBNXAAGNGSEA-AYCYVMAPSA-N
Formula: C28H36O5
Molecular Weight: 452.583497
Exact Mass: 452.256274
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Pan, Y., Wang, X., Hu, X. J Nat Prod (2007) 70, 1127-32
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) | 210.4 |
| 2 (CH2) | 39.6 |
| 3 (CH) | 126.7 |
| 4 (CH) | 129.2 |
| 5 (C) | 140.8 |
| 6 (CH) | 121.7 |
| 7 (CH2) | 30.6 |
| 8 (CH) | 30.8 |
| 9 (CH) | 40 |
| 10 (C) | 51.9 |
| 11 (CH2) | 32.9 |
| 12 (CH) | 77.2 |
| 13 (C) | 48 |
| 14 (CH) | 54.2 |
| 15 (CH2) | 23.6 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 49.3 |
| 18 (CH3) | 7.4 |
| 19 (CH3) | 20.2 |
| 20 (CH) | 38.7 |
| 21 (CH2) | 61.7 |
| 22 (CH) | 75.7 |
| 23 (CH2) | 33.9 |
| 24 (C) | 69.2 |
| 25 (C) | 138.9 |
| 26 (C) | 165.3 |
| 27 (CH2) | 130 |
| 28 (CH3) | 25.7 |
