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(3aS,4S,5S,6E,10E,11aR)-5-acetoxy-4-[(E)-4-hydroxy-2-methyl-but-2-enoyl]oxy-2-keto-10-methyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-6-carboxylic acid methyl ester
SpectraBase Compound ID IZNLzG8MZi9
InChI InChI=1S/C23H28O9/c1-12-7-6-8-16(23(28)29-5)19(30-15(4)25)20(32-21(26)13(2)9-10-24)18-14(3)22(27)31-17(18)11-12/h8-9,11,17-20,24H,3,6-7,10H2,1-2,4-5H3/b12-11+,13-9+,16-8+/t17-,18+,19+,20+/m1/s1
InChIKey WXMIYQKHLZHWAN-YFCCLZTESA-N
Mol Weight 448.47 g/mol
Molecular Formula C23H28O9
Exact Mass 448.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRwC0RKvoHj
Name (3aS,4S,5S,6E,10E,11aR)-5-acetoxy-4-[(E)-4-hydroxy-2-methyl-but-2-enoyl]oxy-2-keto-10-methyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-6-carboxylic acid methyl ester
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28O9
InChI InChI=1S/C23H28O9/c1-12-7-6-8-16(23(28)29-5)19(30-15(4)25)20(32-21(26)13(2)9-10-24)18-14(3)22(27)31-17(18)11-12/h8-9,11,17-20,24H,3,6-7,10H2,1-2,4-5H3/b12-11+,13-9+,16-8+/t17-,18+,19+,20+/m1/s1
InChIKey WXMIYQKHLZHWAN-YFCCLZTESA-N
Literature Reference Author A.BARDON,L.CARDONA,E.CARTAGENA,C.A.N.CATALAN,J.R.PEDRO
Literature Reference Citation PHYTOCHEM.,57,125(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00500-8
Molecular Weight 448.470 g/mol
Solvent CDCl3
Source File Reference UWVN2122