| SpectraBase Compound ID | 7zBxoftCbzT |
|---|---|
| InChI | InChI=1S/C25H31BrO7/c1-14-9-19-18-6-5-16-10-17(29)7-8-22(16,3)24(18,26)21(33-13-27)11-23(19,4)25(14,31)20(30)12-32-15(2)28/h7-8,10,13-14,18-19,21,31H,5-6,9,11-12H2,1-4H3/t14-,18+,19+,21+,22+,23+,24+,25+/m1/s1 |
| InChIKey | RNRGHMHDVGMZFQ-BZOWXGELSA-N |
| Mol Weight | 523.42 g/mol |
| Molecular Formula | C25H31BrO7 |
| Exact Mass | 522.125316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GIKT2RVYjCF |
|---|---|
| Name | 21-ACETOXY-9-ALPHA-BrOMO-11-BETA-FORMYL-17-ALPHA-TRIHYDROXY-16-ALPHA-METHYL-5-ALPHA-PREGN-1,4-DIEN-3,20-DIONE |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H31BrO7 |
| InChI | InChI=1S/C25H31BrO7/c1-14-9-19-18-6-5-16-10-17(29)7-8-22(16,3)24(18,26)21(33-13-27)11-23(19,4)25(14,31)20(30)12-32-15(2)28/h7-8,10,13-14,18-19,21,31H,5-6,9,11-12H2,1-4H3/t14-,18+,19+,21+,22+,23+,24+,25+/m1/s1 |
| InChIKey | RNRGHMHDVGMZFQ-BZOWXGELSA-N |
| Literature Reference Author | J.A.R.GARCIA,F.A.V.NAVARRO,H.T.V.CASTRO |
| Literature Reference Citation | MAGN.RES.CHEM.,32,547(1994) |
| Literature Reference DOI | 10.1002/mrc.1260320909 |
| Molecular Weight | 523.421 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP895 |