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CLINOPODIC_ACID_G

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CLINOPODIC_ACID_G
SpectraBase Compound ID 2zqdZ0j6k0z
InChI InChI=1S/C29H26O12/c1-37-21-12-16(3-7-18(21)30)13-24(28(33)34)39-25(32)10-5-15-4-9-20-23(11-15)41-27(29(35)36)26(40-20)17-6-8-19(31)22(14-17)38-2/h3-12,14,24,26-27,30-31H,13H2,1-2H3,(H,33,34)(H,35,36)/b10-5+/t24-,26-,27-/m1/s1
InChIKey ZMVVNRHMWPOVBT-JYTAJFLVSA-N
Mol Weight 566.52 g/mol
Molecular Formula C29H26O12
Exact Mass 566.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5fSMYEFxjWo
Name CLINOPODIC_ACID_G
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26O12
InChI InChI=1S/C29H26O12/c1-37-21-12-16(3-7-18(21)30)13-24(28(33)34)39-25(32)10-5-15-4-9-20-23(11-15)41-27(29(35)36)26(40-20)17-6-8-19(31)22(14-17)38-2/h3-12,14,24,26-27,30-31H,13H2,1-2H3,(H,33,34)(H,35,36)/b10-5+/t24-,26-,27-/m1/s1
InChIKey ZMVVNRHMWPOVBT-JYTAJFLVSA-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 566.518 g/mol
Sample ID 33284
Solvent ACETONE-D6