For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(3aS,4S,5R,6aR)-5-Hydroxy-4-[4-((S)-1-hydroxy-hexyl)-phenyl]-hexahydro-pentalen-2-one

View entire compound with spectra: 1 MS (GC)

(3aS,4S,5R,6aR)-5-Hydroxy-4-[4-((S)-1-hydroxy-hexyl)-phenyl]-hexahydro-pentalen-2-one
SpectraBase Compound ID BrJitDKivl
InChI InChI=1S/C20H28O3/c1-2-3-4-5-18(22)13-6-8-14(9-7-13)20-17-12-16(21)10-15(17)11-19(20)23/h6-9,15,17-20,22-23H,2-5,10-12H2,1H3/t15-,17-,18-,19+,20+/m0/s1
InChIKey SLKSBEAKTORUIL-AEEMCCEDSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7JLk1yFkbkx
Name (3aS,4S,5R,6aR)-5-Hydroxy-4-[4-((S)-1-hydroxy-hexyl)-phenyl]-hexahydro-pentalen-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-2-3-4-5-18(22)13-6-8-14(9-7-13)20-17-12-16(21)10-15(17)11-19(20)23/h6-9,15,17-20,22-23H,2-5,10-12H2,1H3/t15-,17-,18-,19+,20+/m0/s1
InChIKey SLKSBEAKTORUIL-AEEMCCEDSA-N
Molecular Weight 316.441 g/mol
SMILES O[C@](c1ccc([C@]2([C@@](C[C@]3([C@@]2(CC(C3)=O)[H])[H])(O)[H])[H])cc1)(CCCCC)[H]
SPLASH splash10-0002-0090000000-c814f3dfddab7e72604d
Source of Spectrum C-124-4328-22
Wiley ID 1701025