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23-O-OCTANOYLSILYBIN;ISOMER_1

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23-O-OCTANOYLSILYBIN;ISOMER_1
SpectraBase Compound ID 2uAd4yHMZ24
InChI InChI=1S/C33H36O11/c1-3-4-5-6-7-8-28(37)41-17-27-32(18-9-11-21(35)24(13-18)40-2)43-25-14-19(10-12-23(25)42-27)33-31(39)30(38)29-22(36)15-20(34)16-26(29)44-33/h9-16,27,31-36,39H,3-8,17H2,1-2H3/t27?,31-,32?,33+/m0/s1
InChIKey PLRIBWVTXLKBTA-VOXJNARSSA-N
Mol Weight 608.6 g/mol
Molecular Formula C33H36O11
Exact Mass 608.225762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7zcB0Dh9Lu
Name 23-O-OCTANOYLSILYBIN;ISOMER_1
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H36O11
InChI InChI=1S/C33H36O11/c1-3-4-5-6-7-8-28(37)41-17-27-32(18-9-11-21(35)24(13-18)40-2)43-25-14-19(10-12-23(25)42-27)33-31(39)30(38)29-22(36)15-20(34)16-26(29)44-33/h9-16,27,31-36,39H,3-8,17H2,1-2H3/t27?,31-,32?,33+/m0/s1
InChIKey PLRIBWVTXLKBTA-VOXJNARSSA-N
Literature Reference Author D.MONTI,R.GAZAK,P.MARHOL,D.BIEDERMANN,K.PURCHARTOVA,M.FEDRIG O,S.RIVA,V.KIEN
Literature Reference Citation J.NAT.PROD.,73,613(2010)
Literature Reference DOI 10.1021/np900758d
Molecular Weight 608.642 g/mol
Sample ID 35223
Solvent DMSO-D6