| SpectraBase Compound ID | IuweiEkNQvd |
|---|---|
| InChI | InChI=1S/C19H25BrO2/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18-,19+/m1/s1 |
| InChIKey | SSXUMUAADUDECN-RRQVMCLOSA-N |
| Mol Weight | 365.31 g/mol |
| Molecular Formula | C19H25BrO2 |
| Exact Mass | 364.103793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BY0pmT86Uin |
|---|---|
| Name | 16-ALPHA-BROMO-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-OL |
| Compound Number | 385 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H25BrO2 |
| InChI | InChI=1S/C19H25BrO2/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18-,19+/m1/s1 |
| InChIKey | SSXUMUAADUDECN-RRQVMCLOSA-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 | 365.310 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW4073 |