Spektraris NMR
Withangulatin F
Common Name: Withangulatin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h9,17-18,21-22,31-32H,6-8,10-14H2,1-5H3/t17-,18+,21+,22+,24+,25-,26+,27+,28+/m0/s1
InChIKey: InChIKey=DGQQSGDPWKERCQ-QJFLRJBQSA-N
Formula: C28H38O6
Molecular Weight: 470.598783
Exact Mass: 470.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Damu, A.G., Kuo, P.C., Su, C.R., Kuo, T.H., Chen, T.H., Bastow, K.F., Lee, K.H., Wu, T.S. J Nat Prod (2007) 70, 1146-52
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) | 213.4 |
| 2 (CH2) | 30.6 |
| 3 (CH2) | 22.6 |
| 4 (CH2) | 34.5 |
| 5 (C) | 64.4 |
| 6 (CH) | 60.7 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 27.8 |
| 9 (CH) | 35.7 |
| 10 (C) | 52.3 |
| 11 (CH2) | 22 |
| 12 (CH2) | 29.9 |
| 13 (C) | 52.6 |
| 14 (C) | 84.1 |
| 15 (CH2) | 39.8 |
| 16 (CH) | 124.4 |
| 17 (C) | 156.1 |
| 18 (CH3) | 17.6 |
| 19 (CH3) | 12.4 |
| 20 (C) | 74.7 |
| 21 (CH3) | 20.4 |
| 22 (CH) | 79.4 |
| 23 (CH2) | 30.1 |
| 24 (C) | 149.5 |
| 25 (C) | 121.5 |
| 26 (C) | 165.3 |
| 27 (CH3) | 12.1 |
| 28 (CH3) | 20.6 |
