| SpectraBase Compound ID | A5mXeUdrtoB |
|---|---|
| InChI | InChI=1S/C21H29BrO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20?,21-/m0/s1 |
| InChIKey | UPDGEBFZVSWPHF-YYYRMLFYSA-N |
| Mol Weight | 441.36 g/mol |
| Molecular Formula | C21H29BrO5 |
| Exact Mass | 440.119837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GR8fooTtolM |
|---|---|
| Name | 9-BROMO-11-BETA-17,21-TRIHYDROXYPREGN-4-EN-3,20-DION |
| Compound Number | 317 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H29BrO5 |
| InChI | InChI=1S/C21H29BrO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20?,21-/m0/s1 |
| InChIKey | UPDGEBFZVSWPHF-YYYRMLFYSA-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 | 441.362 g/mol |
| Solvent | DMSO |
| Source File Reference | UNIW4092 |