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(3S,3'S,3''S,3'''S)-4,4',4'',4'''-[ADAMANTANE-1,3,5,7-TETRAYLTETRAKIS-(PHENYLENE-4,1-DIYL)]-TETRAKIS-(BUT-1-YN-3-OL)
SpectraBase Compound ID 3X9JQCnzV73
InChI InChI=1S/C50H48O4/c1-35(51)5-9-39-13-21-43(22-14-39)47-29-48(44-23-15-40(16-24-44)10-6-36(2)52)32-49(30-47,45-25-17-41(18-26-45)11-7-37(3)53)34-50(31-47,33-48)46-27-19-42(20-28-46)12-8-38(4)54/h13-28,35-38,51-54H,29-34H2,1-4H3/t35-,36-,37-,38+,47-,48+,49-,50+/m0/s1
InChIKey FMLPFUQBQDQOCJ-CPKVQDATSA-N
Mol Weight 712.9 g/mol
Molecular Formula C50H48O4
Exact Mass 712.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7WsndDnOBY
Name (3S,3'S,3''S,3'''S)-4,4',4'',4'''-[ADAMANTANE-1,3,5,7-TETRAYLTETRAKIS-(PHENYLENE-4,1-DIYL)]-TETRAKIS-(BUT-1-YN-3-OL)
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H48O4
InChI InChI=1S/C50H48O4/c1-35(51)5-9-39-13-21-43(22-14-39)47-29-48(44-23-15-40(16-24-44)10-6-36(2)52)32-49(30-47,45-25-17-41(18-26-45)11-7-37(3)53)34-50(31-47,33-48)46-27-19-42(20-28-46)12-8-38(4)54/h13-28,35-38,51-54H,29-34H2,1-4H3/t35-,36-,37-,38+,47-,48+,49-,50+/m0/s1
InChIKey FMLPFUQBQDQOCJ-CPKVQDATSA-N
Literature Reference Author C.I.SCHILLING,O.PLIETZSCH,M.NIEGER,T.MULLER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2011,1743(2011)
Literature Reference DOI 10.1002/ejoc.201001567
Molecular Weight 712.929 g/mol
Solvent CD3OD
Source File Reference UWBT20854