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bis(5-Hydroxy-3,5-diphenylcyclopent-2-en-1-yl) oxy-bis(pentanoate)
SpectraBase Compound ID 1ALn7zLlSAB
InChI InChI=1S/C44H46O7/c1-3-17-37(41(45)50-39-27-33(31-19-9-5-10-20-31)29-43(39,47)35-23-13-7-14-24-35)49-38(18-4-2)42(46)51-40-28-34(32-21-11-6-12-22-32)30-44(40,48)36-25-15-8-16-26-36/h5-16,19-28,37-40,47-48H,3-4,17-18,29-30H2,1-2H3/t37?,38?,39-,40+,43-,44+
InChIKey XSFJDVFXAGOUOO-NXMVIZRLSA-N
Mol Weight 686.8 g/mol
Molecular Formula C44H46O7
Exact Mass 686.324354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2x4vXxHQnXI
Name bis(5-Hydroxy-3,5-diphenylcyclopent-2-en-1-yl) oxy-bis(pentanoate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H46O7
InChI InChI=1S/C44H46O7/c1-3-17-37(41(45)50-39-27-33(31-19-9-5-10-20-31)29-43(39,47)35-23-13-7-14-24-35)49-38(18-4-2)42(46)51-40-28-34(32-21-11-6-12-22-32)30-44(40,48)36-25-15-8-16-26-36/h5-16,19-28,37-40,47-48H,3-4,17-18,29-30H2,1-2H3/t37?,38?,39-,40+,43-,44+
InChIKey XSFJDVFXAGOUOO-NXMVIZRLSA-N
Molecular Weight 686.845 g/mol
SMILES O[C@]1([C@@](OC(C(OC(C(O[C@]2([C@@](CC(=C2)c2ccccc2)(c2ccccc2)O)[H])=O)CCC)CCC)=O)(C=C(C1)c1ccccc1)[H])c1ccccc1
SPLASH splash10-0pe9-9640000000-418219b95f8cd3aaeac1
Source of Spectrum H-78-457-9
Synonyms 2-[1-((1S,5S)-5-Hydroxy-3,5-diphenyl-cyclopent-2-enyloxycarbonyl)-butoxy]-pentanoic acid (1R,5R)-5-hydroxy-3,5-diphenyl-cyclopent-2-enyl ester 5-Hydroxy-3,5-diphenyl-2-cyclopenten-1-yl 2-(1-{[(5-hydroxy-3,5-diphenyl-2-cyclopenten-1-yl)oxy]carbonyl}butoxy)pentanoate
Wiley ID 1414566