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2'',3'',4',7-TETRA-O-ACETYL-PUERARIN;ISOMER-(A)
SpectraBase Compound ID 95Gw8DSmOoK
InChI InChI=1S/C29H28O13/c1-13(31)38-18-7-5-17(6-8-18)20-12-37-26-19(24(20)35)9-10-21(39-14(2)32)23(26)27-29(41-16(4)34)28(40-15(3)33)25(36)22(11-30)42-27/h5-10,12,22,25,27-30,36H,11H2,1-4H3/t22-,25-,27+,28+,29+/m1/s1
InChIKey XPMRYRYRTDJZSU-PEPLOFAHSA-N
Mol Weight 584.53 g/mol
Molecular Formula C29H28O13
Exact Mass 584.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3P51sFXZkQ
Name 2'',3'',4',7-TETRA-O-ACETYL-PUERARIN;ISOMER-(A)
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H28O13
InChI InChI=1S/C29H28O13/c1-13(31)38-18-7-5-17(6-8-18)20-12-37-26-19(24(20)35)9-10-21(39-14(2)32)23(26)27-29(41-16(4)34)28(40-15(3)33)25(36)22(11-30)42-27/h5-10,12,22,25,27-30,36H,11H2,1-4H3/t22-,25-,27+,28+,29+/m1/s1
InChIKey XPMRYRYRTDJZSU-PEPLOFAHSA-N
Literature Reference Author K.NAKAMURA,T.NISHIHATA,J.S.JIN,C.M.MA,K.KOMATSU,M.IWASHIMA,M .HATTORI
Literature Reference Citation CHEM.PHARM.BULL.,59,23(2011)
Literature Reference DOI 10.1248/cpb.59.23
Molecular Weight 584.534 g/mol
Sample ID 2604
Solvent DMSO-D6