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#9;(5-METHYL-2-OXO-1,3-DIOXOLEN-4-YL)-METHYL-4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-1-[2'-[2-(5-METHYL-2-OXO-1,3-DIOXOLEN-4-YL)-METHYL-2H-TETRAZOL-5-YL]-B

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#9;(5-METHYL-2-OXO-1,3-DIOXOLEN-4-YL)-METHYL-4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-1-[2'-[2-(5-METHYL-2-OXO-1,3-DIOXOLEN-4-YL)-METHYL-2H-TETRAZOL-5-YL]-B
SpectraBase Compound ID 75jofqmqyjw
InChI InChI=1S/C34H34N6O9/c1-6-9-27-35-29(34(4,5)44)28(31(41)45-18-26-20(3)47-33(43)49-26)39(27)16-21-12-14-22(15-13-21)23-10-7-8-11-24(23)30-36-38-40(37-30)17-25-19(2)46-32(42)48-25/h7-8,10-15,44H,6,9,16-18H2,1-5H3
InChIKey GWAMYKYANVIUHL-UHFFFAOYSA-N
Mol Weight 670.7 g/mol
Molecular Formula C34H34N6O9
Exact Mass 670.238727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kl0ovE35KJC
Name #9;(5-METHYL-2-OXO-1,3-DIOXOLEN-4-YL)-METHYL-4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-1-[2'-[2-(5-METHYL-2-OXO-1,3-DIOXOLEN-4-YL)-METHYL-2H-TETRAZOL-5-YL]-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H34N6O9
InChI InChI=1S/C34H34N6O9/c1-6-9-27-35-29(34(4,5)44)28(31(41)45-18-26-20(3)47-33(43)49-26)39(27)16-21-12-14-22(15-13-21)23-10-7-8-11-24(23)30-36-38-40(37-30)17-25-19(2)46-32(42)48-25/h7-8,10-15,44H,6,9,16-18H2,1-5H3
InChIKey GWAMYKYANVIUHL-UHFFFAOYSA-N
Literature Reference Author I.DAMS,A.OSTASZEWSKA,M.PUCHALSKA,J.CHMIEL,P.CMOCH,I.BUJAK,A. BIALONSKA,W.J.SZCZEP
Literature Reference Citation MOLECULES,20,21346(2015)
Literature Reference DOI 10.3390/molecules201219762
Molecular Weight 670.679 g/mol
Solvent DMSO-D6
Source File Reference UWPA7015