Spektraris NMR
Anomanolide E
Common Name: Anomanolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)28(35)21(31)11-16-14-10-20(30)27(34)8-5-6-19(29)25(27,3)15(14)7-9-24(16,28)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15+,16+,17?,18-,20+,21-,23-,24+,25+,26+,27-,28-/m1/s1
InChIKey: InChIKey=XBHRORXHTAXVQY-NEUAYHDJSA-N
Formula: C28H40O8
Molecular Weight: 504.613475
Exact Mass: 504.272318
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hsieh, P.W., Huang, Z.Y., Chen, J.H., Chang, F.R., Wu, C.C., Yang, Y.L., Chiang, M.Y., Yen, M.H., Chen, S.L., Yen, H.F., Lubken, T., Hung, W.C., Wu, Y.C. J Nat Prod (2007) 70, 747-53
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) | 204.9 |
| 2 (CH) | 129.1 |
| 3 (CH) | 142.1 |
| 4 (CH2) | 36.7 |
| 5 (C) | 77.6 |
| 6 (CH) | 74.7 |
| 7 (CH2) | 34.4 |
| 8 (CH) | 30.7 |
| 9 (CH) | 41.8 |
| 10 (C) | 52.5 |
| 11 (CH2) | 23.3 |
| 12 (CH2) | 33.8 |
| 13 (C) | 48.4 |
| 14 (CH) | 48.5 |
| 15 (CH2) | 36.8 |
| 16 (CH) | 75.6 |
| 17 (C) | 82.3 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 16.1 |
| 20 (CH) | 54 |
| 21 (CH2) | 35.2 |
| 22 (CH) | 84 |
| 23 (CH2) | 41.4 |
| 24 (C) | 47.7 |
| 25 (C) | 77.2 |
| 26 (C) | 178.8 |
| 27 (CH3) | 25.5 |
| 28 (CH3) | 20.4 |
