| SpectraBase Compound ID | FnAgUCjFU7M |
|---|---|
| InChI | InChI=1S/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19-,21-,23+,24-,25-,26+,30?,31?,32+,33+/m0/s1 |
| InChIKey | WXFMGCVRGSIXOB-RXGOSPRBSA-N |
| Mol Weight | 560.8 g/mol |
| Molecular Formula | C33H52O7 |
| Exact Mass | 560.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tjqlIPtJK2 |
|---|---|
| Name | 20-HYDROXYECDYSONE-2,3;20,22-DIACETONIDE;REFERENCE-8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O7 |
| InChI | InChI=1S/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19-,21-,23+,24-,25-,26+,30?,31?,32+,33+/m0/s1 |
| InChIKey | WXFMGCVRGSIXOB-RXGOSPRBSA-N |
| Literature Reference Author | A.BALAZS,A.HUNYADI,J.CSABI,N.JEDLINSZKI,A.MARTINS,A.SIMON,G. TOTH |
| Literature Reference Citation | MAGN.RES.CHEM.,51,830(2013) |
| Literature Reference DOI | 10.1002/mrc.4015 |
| Molecular Weight | 560.772 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR13295 |