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MYRICETRIONE
SpectraBase Compound ID Dz2ArxSq94p
InChI InChI=1S/C30H44O5/c1-25(2)14-19-28(6)12-17(32)24-27(5)10-9-20(33)26(3,4)23(27)16(31)13-30(24,8)18(28)11-21(34)29(19,7)15-22(25)35/h11,16-17,19,23-24,31-32H,9-10,12-15H2,1-8H3/t16-,17+,19-,23?,24?,27-,28+,29-,30-/m0/s1
InChIKey XUTQPHXQIAVXGA-ITVDFHCESA-N
Mol Weight 484.7 g/mol
Molecular Formula C30H44O5
Exact Mass 484.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Cai6gbuT6S
Name MYRICETRIONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44O5
InChI InChI=1S/C30H44O5/c1-25(2)14-19-28(6)12-17(32)24-27(5)10-9-20(33)26(3,4)23(27)16(31)13-30(24,8)18(28)11-21(34)29(19,7)15-22(25)35/h11,16-17,19,23-24,31-32H,9-10,12-15H2,1-8H3/t16-,17+,19-,23?,24?,27-,28+,29-,30-/m0/s1
InChIKey XUTQPHXQIAVXGA-ITVDFHCESA-N
Literature Reference Author J.TAO,T.MORIKAWA,I.TOGUCHIDA,S.ANDO,H.MATSUDA,M.YOSHIKAWA
Literature Reference Citation BIOORG.MED.CHEM.,10,4005(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00314-0
Molecular Weight 484.676 g/mol
Solvent C5D5N
Source File Reference UWLU31501