| SpectraBase Compound ID | HgRUtkEalzC |
|---|---|
| InChI | InChI=1S/C20H32Br2O4/c1-11(2)13-7-12(26-25)8-14-17-18(3,5-6-20(13,14)10-21)15(22)9-16(23)19(17,4)24/h8,11-13,15-17,23-25H,5-7,9-10H2,1-4H3/t12-,13-,15-,16-,17-,18+,19+,20-/m0/s1 |
| InChIKey | BDSVYFLMKBMVBZ-OQXMJJEBSA-N |
| Mol Weight | 496.3 g/mol |
| Molecular Formula | C20H32Br2O4 |
| Exact Mass | 494.066736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzVygtIpF5O |
|---|---|
| Name | 2-S-HYDROPEROXY-12-S-HYDROXYISOBROMOSPHAEROL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H32Br2O4 |
| InChI | InChI=1S/C20H32Br2O4/c1-11(2)13-7-12(26-25)8-14-17-18(3,5-6-20(13,14)10-21)15(22)9-16(23)19(17,4)24/h8,11-13,15-17,23-25H,5-7,9-10H2,1-4H3/t12-,13-,15-,16-,17-,18+,19+,20-/m0/s1 |
| InChIKey | BDSVYFLMKBMVBZ-OQXMJJEBSA-N |
| Literature Reference Author | V.SMYRNIOTOPOULOS,C.VAGIAS,M.M.RAHMAN,S.GIBBONS,V.ROUSSIS |
| Literature Reference Citation | J.NAT.PROD.,71,1386(2008) |
| Literature Reference DOI | 10.1021/np8001817 |
| Molecular Weight | 496.280 g/mol |
| Sample ID | 28466 |
| Solvent | CDCl3 |