| SpectraBase Compound ID | LFvr8WYFOK4 |
|---|---|
| InChI | InChI=1S/C15H23BrO/c1-7(2)12-10-6-9(4)15(17)11(16)5-8(3)14(15)13(10)12/h7,9-13,17H,5-6H2,1-4H3/t9-,10+,11+,12+,13+,15+/m1/s1 |
| InChIKey | LRULYWUDVRTEBV-JVOIICGBSA-N |
| Mol Weight | 299.25 g/mol |
| Molecular Formula | C15H23BrO |
| Exact Mass | 298.093228 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BQrcgOQoI9F |
|---|---|
| Name | Calenzanol |
| Alternate Name(s) | (1S,1aS,3R,3aR,4S,6bS)-4-bromo-3,6-dimethyl-1-propan-2-yl-1a,2,3,4,5,6b-hexahydro-1H-cyclopropa[g]inden-3a-ol (1S,1aS,3R,3aR,4S,6bS)-4-bromo-1-isopropyl-3,6-dimethyl-1a,2,3,4,5,6b-hexahydro-1H-cyclopropa[g]inden-3a-ol (1S,1aS,3R,3aR,4S,6bS)-4-bromanyl-3,6-dimethyl-1-propan-2-yl-1a,2,3,4,5,6b-hexahydro-1H-cyclopropa[g]inden-3a-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H23BrO |
| InChI | InChI=1S/C15H23BrO/c1-7(2)12-10-6-9(4)15(17)11(16)5-8(3)14(15)13(10)12/h7,9-13,17H,5-6H2,1-4H3/t9-,10+,11+,12+,13+,15+/m1/s1 |
| InChIKey | LRULYWUDVRTEBV-JVOIICGBSA-N |
| Molecular Weight | 299.252 g/mol |
| SMILES | O[C@]12C([C@]3([C@](C[C@]2(C)[H])([H])[C@@]3(C(C)C)[H])[H])=C(C[C@@]1(Br)[H])C |
| SPLASH | splash10-052b-6940000000-a43eec941035706bdad1 |
| Source of Spectrum | AT-42-725-1 |
| Wiley ID | 854967 |