| SpectraBase Compound ID | 1PUwSWgUHh0 |
|---|---|
| InChI | InChI=1S/C37H52O7/c1-32(2,39)16-15-30-36(7,44-31(41-30)22-11-9-8-10-12-22)29-14-18-37(40)24-19-26(38)25-20-27-28(43-33(3,4)42-27)21-34(25,5)23(24)13-17-35(29,37)6/h8-12,19,23,25,27-31,39-40H,13-18,20-21H2,1-7H3/t23-,25-,27+,28-,29-,30+,31+,34+,35+,36+,37+/m0/s1 |
| InChIKey | QQVPUXMXHIIQCJ-BDHYDEBJSA-N |
| Mol Weight | 608.8 g/mol |
| Molecular Formula | C37H52O7 |
| Exact Mass | 608.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GefKsFvfrYp |
|---|---|
| Name | 28,28-DIMETHYL-29-ALPHA-PHENYL-2,3;20,22-BIS-O-METHYLIDENE-20-HYDROXY-ECDYSONE |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H52O7 |
| InChI | InChI=1S/C37H52O7/c1-32(2,39)16-15-30-36(7,44-31(41-30)22-11-9-8-10-12-22)29-14-18-37(40)24-19-26(38)25-20-27-28(43-33(3,4)42-27)21-34(25,5)23(24)13-17-35(29,37)6/h8-12,19,23,25,27-31,39-40H,13-18,20-21H2,1-7H3/t23-,25-,27+,28-,29-,30+,31+,34+,35+,36+,37+/m0/s1 |
| InChIKey | QQVPUXMXHIIQCJ-BDHYDEBJSA-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 | 608.816 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9989 |