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Cyclopentaneacetic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-oxo-2-(3-oxo-1-octenyl)-, methyl ester, [1.alpha.,2.beta.(E),3.beta.]-(.+-.)-
SpectraBase Compound ID KdjLFM6y29p
InChI InChI=1S/C22H38O5Si/c1-8-9-10-11-16(23)12-13-17-18(14-21(25)26-5)19(24)15-20(17)27-28(6,7)22(2,3)4/h12-13,17-18,20H,8-11,14-15H2,1-7H3/b13-12+/t17-,18-,20+/m1/s1
InChIKey ALBXWAGWYKCBAE-AVDCPKNDSA-N
Mol Weight 410.6 g/mol
Molecular Formula C22H38O5Si
Exact Mass 410.248851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 102XQelohan
Name Cyclopentaneacetic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-oxo-2-(3-oxo-1-octenyl)-, methyl ester, [1.alpha.,2.beta.(E),3.beta.]-(.+-.)-
Alternate Name(s) (+-)-4.beta.-tert-butyldimethylsilyloxy-3.beta.-[3'-oxo(1'E)-octenyl)-2.alpha.-methoxycarbonylmethylcyclopentane-1-one Methyl {(1R,2R,3S)-3-{[tert-butyl(dimethyl)silyl]oxy}-5-oxo-2-[(1E)-3-oxo-1-octenyl]cyclopentyl}acetate
CAS Registry Number 117557-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38O5Si
InChI InChI=1S/C22H38O5Si/c1-8-9-10-11-16(23)12-13-17-18(14-21(25)26-5)19(24)15-20(17)27-28(6,7)22(2,3)4/h12-13,17-18,20H,8-11,14-15H2,1-7H3/b13-12+/t17-,18-,20+/m1/s1
InChIKey ALBXWAGWYKCBAE-AVDCPKNDSA-N
Molecular Weight 410.626 g/mol
SMILES [C@@]1([C@@]([C@@](CC(=O)OC)(C(C1)=O)[H])(\C=C\C(=O)CCCCC)[H])(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-004i-9001000000-84c4afed23115619a429
Source of Spectrum F-44-1218-23
Wiley ID 1373637