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((1S,2R,4S,5R)-4,5-Bis-benzo[1,3]dioxol-5-yl-2-hydroxy-2-p-tolyl-cyclopentyl)-p-tolyl-methanone

View entire compound with spectra: 1 MS (GC)

((1S,2R,4S,5R)-4,5-Bis-benzo[1,3]dioxol-5-yl-2-hydroxy-2-p-tolyl-cyclopentyl)-p-tolyl-methanone
SpectraBase Compound ID 5QzkE7xK9gR
InChI InChI=1S/C34H30O6/c1-20-3-7-22(8-4-20)33(35)32-31(24-10-14-28-30(16-24)40-19-38-28)26(23-9-13-27-29(15-23)39-18-37-27)17-34(32,36)25-11-5-21(2)6-12-25/h3-16,26,31-32,36H,17-19H2,1-2H3/t26-,31-,32-,34+/m1/s1
InChIKey IKSGHOKTEYDICM-GVNIASDRSA-N
Mol Weight 534.6 g/mol
Molecular Formula C34H30O6
Exact Mass 534.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XiUqR0KalT
Name ((1S,2R,4S,5R)-4,5-Bis-benzo[1,3]dioxol-5-yl-2-hydroxy-2-p-tolyl-cyclopentyl)-p-tolyl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H30O6
InChI InChI=1S/C34H30O6/c1-20-3-7-22(8-4-20)33(35)32-31(24-10-14-28-30(16-24)40-19-38-28)26(23-9-13-27-29(15-23)39-18-37-27)17-34(32,36)25-11-5-21(2)6-12-25/h3-16,26,31-32,36H,17-19H2,1-2H3/t26-,31-,32-,34+/m1/s1
InChIKey IKSGHOKTEYDICM-GVNIASDRSA-N
Molecular Weight 534.608 g/mol
SMILES O[C@]1([C@]([C@@]([C@@](c2cc3OCOc3cc2)(C1)[H])(c1cc2OCOc2cc1)[H])(C(c1ccc(cc1)C)=O)[H])c1ccc(cc1)C
SPLASH splash10-014i-2930000000-7f3d8e32116c239812bf
Source of Spectrum SK-30-605-2g
Synonyms ((1S,2R,4S,5R)-4,5-Bis-benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methyl-phenyl)-cyclopentyl)-p-tolyl-methanone
Wiley ID 881158