| SpectraBase Compound ID | 1bp3ohDtj0H |
|---|---|
| InChI | InChI=1S/C15H23Br2ClO/c1-9-7-10(19)12(17)13(2,3)15(9)6-5-14(4,18)11(16)8-15/h10-12,19H,1,5-8H2,2-4H3/t10-,11+,12-,14+,15+/m0/s1 |
| InChIKey | KKDUTGUFMQDATD-SZWZKDINSA-N |
| Mol Weight | 414.61 g/mol |
| Molecular Formula | C15H23Br2ClO |
| Exact Mass | 411.980419 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3RZRtGzsFE |
|---|---|
| Name | Rogiolol |
| CAS Registry Number | 131683-12-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H23Br2ClO |
| InChI | InChI=1S/C15H23Br2ClO/c1-9-7-10(19)12(17)13(2,3)15(9)6-5-14(4,18)11(16)8-15/h10-12,19H,1,5-8H2,2-4H3/t10-,11+,12-,14+,15+/m0/s1 |
| InChIKey | KKDUTGUFMQDATD-SZWZKDINSA-N |
| Molecular Weight | 414.609 g/mol |
| SMILES | O[C@]1(CC([C@]2(C([C@]1(Br)[H])(C)C)C[C@@](Br)([C@@](CC2)(Cl)C)[H])=C)[H] |
| SPLASH | splash10-001j-3894000000-fd3a83815bf6595bb442 |
| Source of Spectrum | H-73-1618-3 |
| Synonyms | (3S,4R,6R,9R,10R)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylene-3-spiro[5.5]undecanol (3S,4R,6R,9R,10R)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecan-3-ol (3S,4R,6R,9R,10R)-4,10-bis(bromanyl)-9-chloranyl-5,5,9-trimethyl-1-methylidene-spiro[5.5]undecan-3-ol |
| Wiley ID | 1374259 |