| SpectraBase Compound ID | 16OtyQFjLIe |
|---|---|
| InChI | InChI=1S/C21H27BrO3/c1-12(23)25-20-19(22)11-18-17-6-4-13-10-14(24-3)5-7-15(13)16(17)8-9-21(18,20)2/h5,7,10,16-20H,4,6,8-9,11H2,1-3H3/t16-,17-,18+,19-,20-,21+/m1/s1 |
| InChIKey | CDUIFEOYYKIYKH-RZTRGMPVSA-N |
| Mol Weight | 407.35 g/mol |
| Molecular Formula | C21H27BrO3 |
| Exact Mass | 406.114358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ItZKXj6mhZ |
|---|---|
| Name | 16-ALPHA-BROMO-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-YL-ACETAT |
| Compound Number | 386 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H27BrO3 |
| InChI | InChI=1S/C21H27BrO3/c1-12(23)25-20-19(22)11-18-17-6-4-13-10-14(24-3)5-7-15(13)16(17)8-9-21(18,20)2/h5,7,10,16-20H,4,6,8-9,11H2,1-3H3/t16-,17-,18+,19-,20-,21+/m1/s1 |
| InChIKey | CDUIFEOYYKIYKH-RZTRGMPVSA-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 | 407.348 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW4074 |