| SpectraBase Spectrum ID |
1AoH1Ni6GiY |
| Name |
[1R-[1.beta.(1R*,4R*),3A.alpha.,4.beta.,7A.beta.)]]-.beta.-fluorooctahydro-4-[(tetrahydro-2H-pyran-2-yl)oxy]-.alpha.,.alpha.,epsilon.,7A-tetramethyl-1H-indene-1-pentanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.303973340 u |
| Formula |
C23H41FO3 |
| InChI |
InChI=1S/C23H41FO3/c1-16(10-13-20(24)22(2,3)25)17-11-12-18-19(8-7-14-23(17,18)4)27-21-9-5-6-15-26-21/h16-21,25H,5-15H2,1-4H3/t16?,17-,18-,19+,20?,21?,23+/m0/s1 |
| InChIKey |
NWHXRFPPQKTOPU-FXDOFKSOSA-N |
| Molecular Weight |
384.576 g/mol |
| SMILES |
[C@]12([C@]([C@@](OC3OCCCC3)([H])CCC1)(CC[C@]2(C(CCC(C(O)(C)C)F)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931668 |
![[1R-[1.beta.(1R*,4R*),3a.alpha.,4.beta.,7a.beta.)]]-.beta.-fluorooctahydro-4-[(tetrahydro-2H-pyran-2-yl)oxy]-.alpha.,.alpha.,epsilon.,7a-tetramethyl-1H-indene-1-pentanol](/api/spectrum/1AoH1Ni6GiY/structure.png?h=300&w=458 "[1R-[1.beta.(1R*,4R*),3a.alpha.,4.beta.,7a.beta.)]]-.beta.-fluorooctahydro-4-[(tetrahydro-2H-pyran-2-yl)oxy]-.alpha.,.alpha.,epsilon.,7a-tetramethyl-1H-indene-1-pentanol")
