| SpectraBase Spectrum ID |
JUMj48LrLUk |
| Name |
2-(E)-5-((1'S,4'R,6'R)-4'-Acetoxy-1'-hydroxy-2',2',6'-trimethylcyclohexyl)-3-methyl-2-penten-4-yn-1-ol-1-acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.193673997 u |
| Formula |
C19H28O5 |
| InChI |
InChI=1S/C19H28O5/c1-13(8-10-23-15(3)20)7-9-19(22)14(2)11-17(24-16(4)21)12-18(19,5)6/h8,14,17,22H,10-12H2,1-6H3/b13-8+/t14?,17?,19-/m0/s1 |
| InChIKey |
XVGOEDAXCXVFBS-LLLGMKILSA-N |
| Molecular Weight |
336.428 g/mol |
| SMILES |
C([C@]1(C(CC(CC1C)OC(=O)C)(C)C)O)#C\C(=C\COC(=O)C)C |
