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

*Links on SpectraBase are not permalinks.

(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

Compound with spectra: 1 NMR

(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
SpectraBase Compound ID 5KQ8y1gwPNk
InChI InChI=1S/C30H44O6S2/c1-5-6-7-8-15-20-27(37-24-17-12-11-13-18-24)25-22-36-30(33,23-38(34,35)29(2,3)4)26(25)19-14-9-10-16-21-28(31)32/h11-13,15,17-18,20,25-27,33H,5-8,10,16,19,21-23H2,1-4H3,(H,31,32)/b20-15+/t25-,26+,27+,30-/m0/s1
InChIKey MMVIMWPNRATHRX-BOXFWSISSA-N
Mol Weight 564.8 g/mol
Molecular Formula C30H44O6S2
Exact Mass 564.257931 g/mol
Enantiomer InChIKey MMVIMWPNRATHRX-MZSXPLIGSA-N

View Spectrum of (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

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
(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
METHYL-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOATE;(DIASTEREOMER-A)
(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
3-[(3-phenyl-1,8-naphthyridin-2-yl)hydrazo]-2-indolone
Tricyclo[7.2.2.0(3,8)]trideca-5,12-dien-2-one, 1-methoxy-4-methyl-
PHENYL-6-DEOXY-3,4-O-ISOPROPYLIDENE-2-O-PIVALOYL-1-THIO-BETA-D-GALACTOSIDE
8-Methoxy-2,4-bis(methylsulfanyl)-5,6-dihydrobenzo[f]isoquinoline
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.