| SpectraBase Compound ID | 7bj0ffF1SNs |
|---|---|
| InChI | InChI=1S/C22H35BrO4/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h12-17,19,24-25,27H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17-,19-,20+,21+,22+/m1/s1 |
| InChIKey | BZNCIXUCGDETFO-JPMNUSFKSA-N |
| Mol Weight | 443.4 g/mol |
| Molecular Formula | C22H35BrO4 |
| Exact Mass | 442.171873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xVOIJs1VLX |
|---|---|
| Name | 21-BrOMO-3-BETA,11-ALPHA,17-ALPHA-TRIHYDROXY-16-ALPHA-METHYL-5-ALPHA-PREGNAN-20-ONE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H35BrO4 |
| InChI | InChI=1S/C22H35BrO4/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h12-17,19,24-25,27H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17-,19-,20+,21+,22+/m1/s1 |
| InChIKey | BZNCIXUCGDETFO-JPMNUSFKSA-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 | 443.422 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP888 |