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TAKAKIN-8-O-BETA-D-GLUCURONIDE-6''-METHYLESTER
SpectraBase Compound ID GBYfEgCuCVO
InChI InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)14-8-12(25)15-11(24)7-13(26)19(20(15)33-14)34-23-18(29)16(27)17(28)21(35-23)22(30)32-2/h3-8,16-18,21,23-24,26-29H,1-2H3/t16-,17-,18+,21-,23+/m0/s1
InChIKey PMIUOPDTARUOHW-USFRMQJTSA-N
Mol Weight 490.42 g/mol
Molecular Formula C23H22O12
Exact Mass 490.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASXPiC4SkmS
Name TAKAKIN-8-O-BETA-D-GLUCURONIDE-6''-METHYLESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22O12
InChI InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)14-8-12(25)15-11(24)7-13(26)19(20(15)33-14)34-23-18(29)16(27)17(28)21(35-23)22(30)32-2/h3-8,16-18,21,23-24,26-29H,1-2H3/t16-,17-,18+,21-,23+/m0/s1
InChIKey PMIUOPDTARUOHW-USFRMQJTSA-N
Literature Reference Author Z.T.CHEN,S.W.LEE,C.M.CHEN
Literature Reference Citation HETEROCYCLES,38,1399(1994)
Literature Reference DOI 10.3987/COM-94-6710
Molecular Weight 490.420 g/mol
Solvent DMSO-D6
Source File Reference WANG1043