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(1-R*,2-R*,3-E,7-R*,8-S*,9-R*11-R*,12-S*)-16-O-(3-HYDROXY-3-METHYLGLUTARYL)-18-O-ACETYL-8,9-EPOXYDOLABELL-3-EN-2,7,16,18-TETROL

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(1-R*,2-R*,3-E,7-R*,8-S*,9-R*11-R*,12-S*)-16-O-(3-HYDROXY-3-METHYLGLUTARYL)-18-O-ACETYL-8,9-EPOXYDOLABELL-3-EN-2,7,16,18-TETROL
SpectraBase Compound ID 4jVNRSUAK1N
InChI InChI=1S/C28H44O10/c1-16(29)37-25(2,3)18-9-10-27(5)19(18)12-22-28(6,38-22)20(30)8-7-17(11-21(27)31)15-36-24(34)14-26(4,35)13-23(32)33/h11,18-22,30-31,35H,7-10,12-15H2,1-6H3,(H,32,33)/b17-11-/t18-,19+,20+,21+,22-,26?,27+,28-/m1/s1
InChIKey BHBXKBYEDRBUAQ-CQIANZITSA-N
Mol Weight 540.7 g/mol
Molecular Formula C28H44O10
Exact Mass 540.293448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4riMM3Z05A
Name (1-R*,2-R*,3-E,7-R*,8-S*,9-R*11-R*,12-S*)-16-O-(3-HYDROXY-3-METHYLGLUTARYL)-18-O-ACETYL-8,9-EPOXYDOLABELL-3-EN-2,7,16,18-TETROL
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O10
InChI InChI=1S/C28H44O10/c1-16(29)37-25(2,3)18-9-10-27(5)19(18)12-22-28(6,38-22)20(30)8-7-17(11-21(27)31)15-36-24(34)14-26(4,35)13-23(32)33/h11,18-22,30-31,35H,7-10,12-15H2,1-6H3,(H,32,33)/b17-11-/t18-,19+,20+,21+,22-,26?,27+,28-/m1/s1
InChIKey BHBXKBYEDRBUAQ-CQIANZITSA-N
Literature Reference Author K.M.MOHAMED,K.OHTANI,R.KASAI,K.YAMASAKI
Literature Reference Citation PHYTOCHEM.,39,151(1995)
Literature Reference DOI 10.1016/0031-9422(94)00917-I
Molecular Weight 540.651 g/mol
Solvent C5D5N
Source File Reference UWMZ8970