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BOAWAWRTKUVIRE-DGOBTFPQSA-N

View entire compound with spectra: 1 NMR

BOAWAWRTKUVIRE-DGOBTFPQSA-N
SpectraBase Compound ID 7JRFdjWuZVe
InChI InChI=1S/C42H56O11/c1-23(2)9-6-10-24(3)11-7-12-25(4)13-8-14-26(5)15-16-29-31(43)22-36-30(38(29)48)21-37(41(52-36)27-17-32(44)39(49)33(45)18-27)53-42(51)28-19-34(46)40(50)35(47)20-28/h15,17-20,22-25,37,41,43-50H,6-14,16,21H2,1-5H3/b26-15+/t24?,25?,37-,41-/m1/s1
InChIKey BOAWAWRTKUVIRE-DGOBTFPQSA-N
Mol Weight 736.9 g/mol
Molecular Formula C42H56O11
Exact Mass 736.382263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3cy1XA2BYpZ
Name BOAWAWRTKUVIRE-DGOBTFPQSA-N
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H56O11
InChI InChI=1S/C42H56O11/c1-23(2)9-6-10-24(3)11-7-12-25(4)13-8-14-26(5)15-16-29-31(43)22-36-30(38(29)48)21-37(41(52-36)27-17-32(44)39(49)33(45)18-27)53-42(51)28-19-34(46)40(50)35(47)20-28/h15,17-20,22-25,37,41,43-50H,6-14,16,21H2,1-5H3/b26-15+/t24?,25?,37-,41-/m1/s1
InChIKey BOAWAWRTKUVIRE-DGOBTFPQSA-N
Literature Reference Author R.FUDOUJI,T.TANAKA,T.TAGURI,Y.MATSUO,I.KOUNO
Literature Reference Citation J.AGR.FOOD.CHEM.,57,6417(2009)
Literature Reference DOI 10.1021/jf9010998
Molecular Weight 736.900 g/mol
Sample ID 68040
Solvent ACETONE-D6