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CLINOPODIC_ACID_D

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CLINOPODIC_ACID_D
SpectraBase Compound ID 8LBXKiOC6Sx
InChI InChI=1S/C28H24O12/c1-37-21-11-15(2-6-18(21)30)12-23(27(33)34)38-24(32)9-4-14-3-8-20-22(10-14)40-26(28(35)36)25(39-20)16-5-7-17(29)19(31)13-16/h2-11,13,23,25-26,29-31H,12H2,1H3,(H,33,34)(H,35,36)/b9-4+/t23-,25+,26+/m1/s1
InChIKey WBCYJTQLKQPOTQ-POMPZJGKSA-N
Mol Weight 552.49 g/mol
Molecular Formula C28H24O12
Exact Mass 552.126776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aept0X4pRef
Name CLINOPODIC_ACID_D
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24O12
InChI InChI=1S/C28H24O12/c1-37-21-11-15(2-6-18(21)30)12-23(27(33)34)38-24(32)9-4-14-3-8-20-22(10-14)40-26(28(35)36)25(39-20)16-5-7-17(29)19(31)13-16/h2-11,13,23,25-26,29-31H,12H2,1H3,(H,33,34)(H,35,36)/b9-4+/t23-,25+,26+/m1/s1
InChIKey WBCYJTQLKQPOTQ-POMPZJGKSA-N
Literature Reference Author T.MURATA,K.SASAKI,K.SATO,F.YOSHIZAKI,H.YAMADA,H.MUTOH,K.UMEH ARA,T.MIYASE,T.WARAS
Literature Reference Citation J.NAT.PROD.,72,1379(2009)
Literature Reference DOI 10.1021/np800781t
Molecular Weight 552.491 g/mol
Sample ID 33281
Solvent CD3OD