| SpectraBase Compound ID | DcXxxuxWWBI |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-15(23-8-9-24(2,3)32-23)16-7-11-27(31)18-12-20(28)19-13-21(29)22(30)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19,21-23,29-31H,6-11,13-14H2,1-5H3/t15-,16+,17?,19-,21+,22-,23-,25+,26+,27+/m0/s1 |
| InChIKey | XGNGGFFPHLDOLR-IKUXVUEUSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvP4ZqNF8Eh |
|---|---|
| Name | 22,25-ANHYDROECDYSONE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-15(23-8-9-24(2,3)32-23)16-7-11-27(31)18-12-20(28)19-13-21(29)22(30)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19,21-23,29-31H,6-11,13-14H2,1-5H3/t15-,16+,17?,19-,21+,22-,23-,25+,26+,27+/m0/s1 |
| InChIKey | XGNGGFFPHLDOLR-IKUXVUEUSA-N |
| Literature Reference Author | P.G.ROUSSEL,V.SIK,N.J.TURNER,L.N.DINAN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2237(1997) |
| Literature Reference DOI | 10.1039/a700986k |
| Molecular Weight | 446.627 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU7858 |