| SpectraBase Compound ID | KK7S48PZ2ls |
|---|---|
| InChI | InChI=1S/C41H54O8/c1-37(2,45)18-17-35-40(5,49-36(48-35)26-11-13-27(14-12-26)47-24-25-9-7-6-8-10-25)34-16-20-41(46)29-21-31(42)30-22-32(43)33(44)23-38(30,3)28(29)15-19-39(34,41)4/h6-14,21,28,30,32-36,43-46H,15-20,22-24H2,1-5H3/t28-,30-,32+,33-,34-,35+,36+,38+,39+,40+,41+/m0/s1 |
| InChIKey | VWKNOBUZRYSPON-BBGGDVLOSA-N |
| Mol Weight | 674.9 g/mol |
| Molecular Formula | C41H54O8 |
| Exact Mass | 674.381869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gwDpVAcQ66 |
|---|---|
| Name | 29-ALPHA-(4-BENZYLOXYPHENYL)-20,22-O-METHYLIDENE-20-HYDROXY-ECDYSONE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H54O8 |
| InChI | InChI=1S/C41H54O8/c1-37(2,45)18-17-35-40(5,49-36(48-35)26-11-13-27(14-12-26)47-24-25-9-7-6-8-10-25)34-16-20-41(46)29-21-31(42)30-22-32(43)33(44)23-38(30,3)28(29)15-19-39(34,41)4/h6-14,21,28,30,32-36,43-46H,15-20,22-24H2,1-5H3/t28-,30-,32+,33-,34-,35+,36+,38+,39+,40+,41+/m0/s1 |
| InChIKey | VWKNOBUZRYSPON-BBGGDVLOSA-N |
| Literature Reference Author | A.MARTINS,J.CSABI,A.BALAZS,D.KITKA,L.AMARAL,J.MOLNAR,A.SIMON ,G.TOTH,A.HUNYADI |
| Literature Reference Citation | MOLECULES,18,15255(2013) |
| Literature Reference DOI | 10.3390/molecules181215255 |
| Molecular Weight | 674.875 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9987 |