| SpectraBase Spectrum ID |
apsFUtP5U |
| Name |
10-epi-Deoxycaespitol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H25Br2ClO |
| InChI |
InChI=1S/C15H25Br2ClO/c1-13(2)11(16)6-8-15(4,19-13)10-5-7-14(3,18)12(17)9-10/h10-12H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1 |
| InChIKey |
FIHHUYBIKUKVFD-CUZKYEQNSA-N |
| Instrument Name |
Thermo Electron Corporation DSQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900627r |
| Molecular Weight |
416.625 g/mol |
| Optical Rotation |
[a]D20 = +24.0 (c = 0.10, CHCl3) |
| Reported Formula |
C15H25Br2ClO |
| SMILES |
C1C[C@@](C[C@@]([C@@]1(C)Cl)(Br)[H])([C@@]1(OC([C@@](CC1)(Br)[H])(C)C)C)[H] |
| SPLASH |
splash10-0a4i-1490000000-6e3a78fcc896a065bf58 |
| Source of Spectrum |
G4-73-31-5 |
| Wiley ID |
1846388 |
