| SpectraBase Compound ID | GaAT2pxcw2F |
|---|---|
| InChI | InChI=1S/C37H60O7/c1-8-10-12-31-41-27-21-25-26(38)20-24-23(34(25,5)22-28(27)42-31)14-18-35(6)29(15-19-37(24,35)40)36(7)30(16-17-33(3,4)39)43-32(44-36)13-11-9-2/h20,23,25,27-32,39-40H,8-19,21-22H2,1-7H3/t23-,25-,27+,28-,29-,30+,31+,32+,34+,35+,36+,37+/m0/s1 |
| InChIKey | GAXKZQKVIFUSPK-NFNIPRTBSA-N |
| Mol Weight | 616.9 g/mol |
| Molecular Formula | C37H60O7 |
| Exact Mass | 616.433904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BcO0iokoJo6 |
|---|---|
| Name | 28-BETA,29-ALPHA-DIBUTYL-2,3;20,22-BIS-O-METHYLIDENE-20-HYDROXY-ECDYSONE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H60O7 |
| InChI | InChI=1S/C37H60O7/c1-8-10-12-31-41-27-21-25-26(38)20-24-23(34(25,5)22-28(27)42-31)14-18-35(6)29(15-19-37(24,35)40)36(7)30(16-17-33(3,4)39)43-32(44-36)13-11-9-2/h20,23,25,27-32,39-40H,8-19,21-22H2,1-7H3/t23-,25-,27+,28-,29-,30+,31+,32+,34+,35+,36+,37+/m0/s1 |
| InChIKey | GAXKZQKVIFUSPK-NFNIPRTBSA-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 | 616.879 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9973 |