| SpectraBase Compound ID | DadeAH28asx |
|---|---|
| InChI | InChI=1S/C17H25Br2ClO2/c1-10-8-12(22-11(2)21)14(18)15(3,4)17(10)7-6-16(5,19)13(20)9-17/h12-14H,1,6-9H2,2-5H3/t12-,13-,14-,16-,17+/m0/s1 |
| InChIKey | LCTBUAFKAFMZQT-CUINURIISA-N |
| Mol Weight | 456.65 g/mol |
| Molecular Formula | C17H25Br2ClO2 |
| Exact Mass | 453.990984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HmHTOoPrtQk |
|---|---|
| Name | 9-ACETYL-ISO-OBTUSOL |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H25Br2ClO2 |
| InChI | InChI=1S/C17H25Br2ClO2/c1-10-8-12(22-11(2)21)14(18)15(3,4)17(10)7-6-16(5,19)13(20)9-17/h12-14H,1,6-9H2,2-5H3/t12-,13-,14-,16-,17+/m0/s1 |
| InChIKey | LCTBUAFKAFMZQT-CUINURIISA-N |
| Literature Reference Author | M.WESSELS,G.M.KOENIG,A.D.WRIGHT |
| Literature Reference Citation | J.NAT.PROD.,63,920(2000) |
| Literature Reference DOI | 10.1021/np9905721 |
| Molecular Weight | 456.645 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU8540 |