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AUSTRALIFUNGIN-TRIACETATE;MAJOR-CONFORMERE
SpectraBase Compound ID 89brRB4c8tj
InChI InChI=1S/C29H42O9/c1-8-9-10-11-12-16(2)24-28(38-20(6)32)27(35)23-25(21(37-19(5)31)15-17(3)26(23)34)29(24,7)22(33)13-14-36-18(4)30/h13-14,16-17,21,23,25-26,34H,8-12,15H2,1-7H3/b14-13+/t16-,17+,21-,23-,25+,26+,29+/m1/s1
InChIKey RZIRMWDPWGPIDI-FAXSZQMFSA-N
Mol Weight 534.6 g/mol
Molecular Formula C29H42O9
Exact Mass 534.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HzkGPQcwZNj
Name AUSTRALIFUNGIN-TRIACETATE;MAJOR-CONFORMERE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O9
InChI InChI=1S/C29H42O9/c1-8-9-10-11-12-16(2)24-28(38-20(6)32)27(35)23-25(21(37-19(5)31)15-17(3)26(23)34)29(24,7)22(33)13-14-36-18(4)30/h13-14,16-17,21,23,25-26,34H,8-12,15H2,1-7H3/b14-13+/t16-,17+,21-,23-,25+,26+,29+/m1/s1
InChIKey RZIRMWDPWGPIDI-FAXSZQMFSA-N
Literature Reference Author O.D.HENSENS,G.L.HELMS,E.T.TURNER-JONES,G.H.HARRIS
Literature Reference Citation J.ORG.CHEM.,60,1772(1995)
Literature Reference DOI 10.1021/jo00111a040
Molecular Weight 534.647 g/mol
Solvent CD2Cl2
Source File Reference UWGE649