| SpectraBase Compound ID | KAAFgnzg0cD |
|---|---|
| InChI | InChI=1S/C20H32Br2O3/c1-11(2)12-5-6-13(23)16-17-18(3,7-8-20(12,16)10-21)14(22)9-15(24)19(17,4)25/h5-6,11-17,23-25H,7-10H2,1-4H3/t12-,13-,14-,15-,16-,17-,18+,19+,20-/m0/s1 |
| InChIKey | WQVRLEHPQYWZGE-VHXYLUBJSA-N |
| Mol Weight | 480.3 g/mol |
| Molecular Formula | C20H32Br2O3 |
| Exact Mass | 478.071821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1vChAZBIZyJ |
|---|---|
| Name | 12S-HYDROXYBROMOSPHAERODIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H32Br2O3 |
| InChI | InChI=1S/C20H32Br2O3/c1-11(2)12-5-6-13(23)16-17-18(3,7-8-20(12,16)10-21)14(22)9-15(24)19(17,4)25/h5-6,11-17,23-25H,7-10H2,1-4H3/t12-,13-,14-,15-,16-,17-,18+,19+,20-/m0/s1 |
| InChIKey | WQVRLEHPQYWZGE-VHXYLUBJSA-N |
| Literature Reference Author | S.ETAHIRI,V.BULTEL-PONCE,C.CAUX,M.GUYOT |
| Literature Reference Citation | J.NAT.PROD.,64,1024(2001) |
| Literature Reference DOI | 10.1021/np0002684 |
| Molecular Weight | 480.280 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1734 |