| SpectraBase Compound ID | KsjZim9bfcm |
|---|---|
| InChI | InChI=1S/C18H20Br2O3/c1-7(2)9-5-6-18(4)12(9)10-11(16(22)17(18)23)15(21)14(20)8(3)13(10)19/h7,9,12,21H,5-6H2,1-4H3/t9-,12-,18-/m1/s1 |
| InChIKey | XKEGJOWTEPEJJA-YHRQMHJJSA-N |
| Mol Weight | 444.16 g/mol |
| Molecular Formula | C18H20Br2O3 |
| Exact Mass | 441.977921 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3mYUVdmieG |
|---|---|
| Name | 4-Bromo-hamigeran B |
| Alternate Name(s) | (1R,3aR,9bS)-7,9-dibromo-6-hydroxy-3a,8-dimethyl-1-propan-2-yl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-4,5-dione (1R,3aR,9bS)-7,9-dibromo-6-hydroxy-1-isopropyl-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-4,5-dione (1R,3aR,9bS)-7,9-bis(bromanyl)-3a,8-dimethyl-6-oxidanyl-1-propan-2-yl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-4,5-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H20Br2O3 |
| InChI | InChI=1S/C18H20Br2O3/c1-7(2)9-5-6-18(4)12(9)10-11(16(22)17(18)23)15(21)14(20)8(3)13(10)19/h7,9,12,21H,5-6H2,1-4H3/t9-,12-,18-/m1/s1 |
| InChIKey | XKEGJOWTEPEJJA-YHRQMHJJSA-N |
| Molecular Weight | 444.163 g/mol |
| SMILES | Oc1c2c([C@]3([C@](CC[C@]3(C(C2=O)=O)C)(C(C)C)[H])[H])c(Br)c(c1Br)C |
| SPLASH | splash10-052f-2009300000-736284e449a7d4f11520 |
| Source of Spectrum | G4-63-84-4 |
| Wiley ID | 1608241 |