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

*Links on SpectraBase are not permalinks.

METHYL-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOATE;(DIASTEREOMER-A)

Compound with spectra: 2 NMR

METHYL-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOATE;(DIASTEREOMER-A)
SpectraBase Compound ID 7DD9jKCaUwj
InChI InChI=1S/C31H46O6S2/c1-6-7-8-9-16-21-28(38-25-18-13-12-14-19-25)26-23-37-31(33,24-39(34,35)30(2,3)4)27(26)20-15-10-11-17-22-29(32)36-5/h12-14,16,18-19,21,26-28,33H,6-9,11,17,20,22-24H2,1-5H3/b21-16+/t26-,27+,28?,31-/m0/s1
InChIKey LPCNRLNJCMBZEV-QIFAVXKZSA-N
Mol Weight 578.8 g/mol
Molecular Formula C31H46O6S2
Exact Mass 578.273582 g/mol
Enantiomer InChIKey LPCNRLNJCMBZEV-HCINZXMMSA-N

View Spectrum of METHYL-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOATE;(DIASTEREOMER-A)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of METHYL-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOATE;(DIASTEREOMER-A)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • METHYL-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOATE;(DIASTEREOMER-B)
(1''R*,2''E,2'S*,3'R*,4'R*)-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOIC-ACID
(1''R*,2''E,2'R*,3'S*,4'S*)-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOIC-ACID
(3RS,4SR,3'SR)-4'-Methyl-3'-(phenylthio)(1-azabicyclo[2.2.2]octan-3-spiro-2'-tdihydrofuran-5'-one)
exo,exo-2,3-Dibromo-exo-5-endo-6-bis(phenylsulfonyl)-7-oxabicyclo[2.2.1]heptane
(1R,4S,7R,8R,11S)-7-[4-(Ethoxycarbonyl)-2-methylbut-2-yl]-2,10-dioxatricyclo[6.2.1.0(4,11)]undec-5-en-9-one isomer
CYCLCZHEURCWBE-JLOCXQCDSA-N
5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-[4-methoxy-3-(phenylmethoxy)phenyl]-6-methyl-2-oxo-, ethyl ester
5(4H)-oxazolone, 2-(4-chlorophenyl)-4-[[2-(phenylthio)-3-quinolinyl]methylene]-, (4E)-
4-Hydroxy-4H-chromene-2,3-dicarboxylic acid diethyl ester
2,4-dimethyl[1]benzopyrano[4,3-c]pyrazol-3(2H)-one
Title Journal or Book Year
The Preparation of 9-Oxo-10-Oxaprostanoids by the Conjugate Addition of (E)-1-(Phenylthio)Oct-2-Enyllithium to γ-Crotonolactone and the Direct Alkylation of the Derived Enolate With Methyl 7-Bromohept-5-ynoate and Related Electrophiles Australian Journal of Chemistry 1987
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.