| SpectraBase Compound ID | IwVRvr9cNyO |
|---|---|
| InChI | InChI=1S/C21H26O4/c1-12(22)25-18-7-6-15-19-16(8-9-20(15,18)2)21(3)11-14(23)5-4-13(21)10-17(19)24/h4-5,10,15-16,18-19H,6-9,11H2,1-3H3/t15-,16-,18-,19-,20-,21-/m0/s1 |
| InChIKey | QBMXYXXDAKYACT-BTEPJHDCSA-N |
| Mol Weight | 342.44 g/mol |
| Molecular Formula | C21H26O4 |
| Exact Mass | 342.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hZq2gkHCiH |
|---|---|
| Name | 17-BETA-(ACETYLOXY)-ANDROSTA-3,5-DIEN-2,7-DIONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26O4 |
| InChI | InChI=1S/C21H26O4/c1-12(22)25-18-7-6-15-19-16(8-9-20(15,18)2)21(3)11-14(23)5-4-13(21)10-17(19)24/h4-5,10,15-16,18-19H,6-9,11H2,1-3H3/t15-,16-,18-,19-,20-,21-/m0/s1 |
| InChIKey | QBMXYXXDAKYACT-BTEPJHDCSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 342.435 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW3389 |