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6,9-EPI-8-O-ACETYLSHANZISIDE-METHYLESTER
SpectraBase Compound ID 546mclOhuic
InChI InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10-,11-,12?,13-,14+,15-,17-,18+,19-/m0/s1
InChIKey ARFRZOLTIRQFCI-ILOBNVKASA-N
Mol Weight 448.42 g/mol
Molecular Formula C19H28O12
Exact Mass 448.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CiXVK2GeBCv
Name 6,9-EPI-8-O-ACETYLSHANZISIDE-METHYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28O12
InChI InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10-,11-,12?,13-,14+,15-,17-,18+,19-/m0/s1
InChIKey ARFRZOLTIRQFCI-ILOBNVKASA-N
Literature Reference Author A.DELAZAR,M.BYRES,S.GIBBONS,Y.KUMARASAMY,M.MODARRESI,L.NAHAR ,M.SHOEB,S.D.SARKER
Literature Reference Citation J.NAT.PROD.,67,1584(2004)
Literature Reference DOI 10.1021/np040044b
Molecular Weight 448.424 g/mol
Solvent D2O
Source File Reference UWMZ8137