| SpectraBase Compound ID | 2eoaOK8yAL9 |
|---|---|
| InChI | InChI=1S/C25H34O7/c1-13(26)16-7-9-25(30)18-10-20(29)19-11-21(31-14(2)27)22(32-15(3)28)12-23(19,4)17(18)6-8-24(16,25)5/h10,16-17,19,21-22,30H,6-9,11-12H2,1-5H3/t16-,17+,19+,21-,22+,23-,24-,25-/m1/s1 |
| InChIKey | PPQOLCWGCYDGMD-AWVVRTOVSA-N |
| Mol Weight | 446.5 g/mol |
| Molecular Formula | C25H34O7 |
| Exact Mass | 446.230453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6d8tJ5KnQy5 |
|---|---|
| Name | 2-BETA-3-BETA-(ACETYLOXY)-14-HYDROXY-5-BETA-PREGN-7-EN-6,20-DION |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H34O7 |
| InChI | InChI=1S/C25H34O7/c1-13(26)16-7-9-25(30)18-10-20(29)19-11-21(31-14(2)27)22(32-15(3)28)12-23(19,4)17(18)6-8-24(16,25)5/h10,16-17,19,21-22,30H,6-9,11-12H2,1-5H3/t16-,17+,19+,21-,22+,23-,24-,25-/m1/s1 |
| InChIKey | PPQOLCWGCYDGMD-AWVVRTOVSA-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 | 446.541 g/mol |
| Solvent | PYRIDINE |
| Source File Reference | UNIW84 |