| SpectraBase Compound ID | CYigvpLef3Z |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-4-14-17(22)10-16-13-6-5-12(9-18(23)24)21(3,11-19(25)26)15(13)7-8-20(14,16)2/h4,12-13,15-16H,5-11H2,1-3H3,(H,23,24)(H,25,26)/b14-4+/t12-,13+,15-,16-,20+,21-/m0/s1 |
| InChIKey | OYIPETGGBDETFA-JAQDNKOBSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6eA4OWw8mUQ |
|---|---|
| Name | 2,3-SECO-DICARBOXYL-PREGN-17-EN-16-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-4-14-17(22)10-16-13-6-5-12(9-18(23)24)21(3,11-19(25)26)15(13)7-8-20(14,16)2/h4,12-13,15-16H,5-11H2,1-3H3,(H,23,24)(H,25,26)/b14-4+/t12-,13+,15-,16-,20+,21-/m0/s1 |
| InChIKey | OYIPETGGBDETFA-JAQDNKOBSA-N |
| Literature Reference Author | Q.G.TAN,X.N.LI,H.CHEN,T.FENG,X.H.CAI,X.D.LUO |
| Literature Reference Citation | J.NAT.PROD.,73,693(2010) |
| Literature Reference DOI | 10.1021/np1000472 |
| Molecular Weight | 362.466 g/mol |
| Sample ID | 35341 |
| Solvent | DMSO-D6 |