| SpectraBase Compound ID | BThZ801Mj42 |
|---|---|
| InChI | InChI=1S/C32H52O7/c1-7-8-9-27-38-26(12-13-28(2,3)36)31(6,39-27)25-11-15-32(37)20-16-22(33)21-17-23(34)24(35)18-29(21,4)19(20)10-14-30(25,32)5/h16,19,21,23-27,34-37H,7-15,17-18H2,1-6H3/t19-,21-,23+,24-,25-,26+,27+,29+,30+,31+,32+/m0/s1 |
| InChIKey | VPVUGRAOUICFAV-SJOCCXFFSA-N |
| Mol Weight | 548.8 g/mol |
| Molecular Formula | C32H52O7 |
| Exact Mass | 548.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FcvC8vsBNT3 |
|---|---|
| Name | 29-ALPHA-BUTYL-20,22-O-METHYLIDENE-20-HYDROXY-ECDYSONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O7 |
| InChI | InChI=1S/C32H52O7/c1-7-8-9-27-38-26(12-13-28(2,3)36)31(6,39-27)25-11-15-32(37)20-16-22(33)21-17-23(34)24(35)18-29(21,4)19(20)10-14-30(25,32)5/h16,19,21,23-27,34-37H,7-15,17-18H2,1-6H3/t19-,21-,23+,24-,25-,26+,27+,29+,30+,31+,32+/m0/s1 |
| InChIKey | VPVUGRAOUICFAV-SJOCCXFFSA-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 | 548.761 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9971 |