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

*Links on SpectraBase are not permalinks.
(3a.alpha.,4.alpha.,8a.beta.)-(+-)-3,3a,4,5,8,8a-Hexahydro-3a,4-dihydroxy-8a-methyl-7-(4-methylphenyl)-1-(2H)-azulenone
SpectraBase Compound ID 7SPEU2reqkG
InChI InChI=1S/C18H22O3/c1-12-3-5-13(6-4-12)14-7-8-16(20)18(21)10-9-15(19)17(18,2)11-14/h3-7,16,20-21H,8-11H2,1-2H3/t16-,17-,18-/m1/s1
InChIKey IOJVEDBPFLNPLY-KZNAEPCWSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 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 1uKTHQorFQK
Name (3a.alpha.,4.alpha.,8a.beta.)-(+-)-3,3a,4,5,8,8a-Hexahydro-3a,4-dihydroxy-8a-methyl-7-(4-methylphenyl)-1-(2H)-azulenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-12-3-5-13(6-4-12)14-7-8-16(20)18(21)10-9-15(19)17(18,2)11-14/h3-7,16,20-21H,8-11H2,1-2H3/t16-,17-,18-/m1/s1
InChIKey IOJVEDBPFLNPLY-KZNAEPCWSA-N
Molecular Weight 286.371 g/mol
SMILES O[C@@]1(CC=C(C[C@]2([C@]1(CCC2=O)O)C)c1ccc(cc1)C)[H]
SPLASH splash10-000i-0090000000-a48af167935853c423b1
Source of Spectrum J-63-7838-21
Synonyms (3aS,4R,8aS)-3a,4-dihydroxy-8a-methyl-7-(4-methylphenyl)-3,3a,4,5,8,8a-hexahydro-1(2H)-azulenone
Wiley ID 1290195