| SpectraBase Compound ID | 8r5q15srYqY |
|---|---|
| InChI | InChI=1S/C20H32Br2O2/c1-12-6-7-14(21)17(2,3)20(12)9-8-18(4)13(11-20)19(5,24)16(23)10-15(18)22/h13-16,23-24H,1,6-11H2,2-5H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1 |
| InChIKey | NMTHADGRZFKZFY-YNZDMMAESA-N |
| Mol Weight | 464.3 g/mol |
| Molecular Formula | C20H32Br2O2 |
| Exact Mass | 462.076906 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 19M213sxCxk |
|---|---|
| Name | 10-Hydroxykahukuene B |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32Br2O2 |
| InChI | InChI=1S/C20H32Br2O2/c1-12-6-7-14(21)17(2,3)20(12)9-8-18(4)13(11-20)19(5,24)16(23)10-15(18)22/h13-16,23-24H,1,6-11H2,2-5H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1 |
| InChIKey | NMTHADGRZFKZFY-YNZDMMAESA-N |
| Instrument Name | VG Autospec 3000 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np070378b |
| Molecular Weight | 464.282 g/mol |
| Optical Rotation | [a]D18 = +8.1 (c = 0.71, CHCl3) |
| Reported Formula | C20H32(79)Br(81)BrO2 |
| SMILES | O[C@@]1([C@@]([C@]2(C[C@]3(CC[C@@]2([C@](C1)(Br)[H])C)C([C@](CCC3=C)(Br)[H])(C)C)[H])(C)O)[H] |
| SPLASH | splash10-014i-0019000000-f1e9508e1a402a4051c0 |
| Source of Spectrum | G4-70-1904-1 |
| Wiley ID | 1874364 |