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(1S,2R,3R,4R)-1,4-BIS-O-(BENZOYL)-2-(HYDROXYMETHYL)-3-(METHOXYCARBONYLHEPYL)-CYCLOPENTANE-1,4-DIOL
SpectraBase Compound ID QQKVJpO9ev
InChI InChI=1S/C29H36O7/c1-34-27(31)18-12-4-2-3-11-17-23-24(20-30)26(36-29(33)22-15-9-6-10-16-22)19-25(23)35-28(32)21-13-7-5-8-14-21/h5-10,13-16,23-26,30H,2-4,11-12,17-20H2,1H3/t23-,24+,25-,26+/m1/s1
InChIKey HQJABTAOBZNQPG-ZJSPYRCASA-N
Mol Weight 496.6 g/mol
Molecular Formula C29H36O7
Exact Mass 496.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzhRrm4MKxk
Name (1S,2R,3R,4R)-1,4-BIS-O-(BENZOYL)-2-(HYDROXYMETHYL)-3-(METHOXYCARBONYLHEPYL)-CYCLOPENTANE-1,4-DIOL
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O7
InChI InChI=1S/C29H36O7/c1-34-27(31)18-12-4-2-3-11-17-23-24(20-30)26(36-29(33)22-15-9-6-10-16-22)19-25(23)35-28(32)21-13-7-5-8-14-21/h5-10,13-16,23-26,30H,2-4,11-12,17-20H2,1H3/t23-,24+,25-,26+/m1/s1
InChIKey HQJABTAOBZNQPG-ZJSPYRCASA-N
Literature Reference Author S.E.FANGOUR,A.GUY,V.DESPRES,J.P.VIDAL,J.C.ROSSI,T.DURAND
Literature Reference Citation J.ORG.CHEM.,69,2498(2004)
Literature Reference DOI 10.1021/jo035638i
Molecular Weight 496.601 g/mol
Solvent CDCl3
Source File Reference UWVN21273