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CLINOPODIC_ACID_I

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CLINOPODIC_ACID_I
SpectraBase Compound ID LBrpWVj2I94
InChI InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)3-10-29(44)50-28(35(47)48)15-18-4-9-23(40)33-30(18)31(32(52-33)19-5-8-22(39)26(43)14-19)36(49)51-27(34(45)46)13-17-2-7-21(38)25(42)12-17/h1-12,14,27-28,31-32,37-43H,13,15H2,(H,45,46)(H,47,48)/b10-3+/t27-,28-,31+,32-/m1/s1
InChIKey ABOFMZGCFQOHLN-BPEDTOSASA-N
Mol Weight 718.6 g/mol
Molecular Formula C36H30O16
Exact Mass 718.153385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSSE2pNClvQ
Name CLINOPODIC_ACID_I
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H30O16
InChI InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)3-10-29(44)50-28(35(47)48)15-18-4-9-23(40)33-30(18)31(32(52-33)19-5-8-22(39)26(43)14-19)36(49)51-27(34(45)46)13-17-2-7-21(38)25(42)12-17/h1-12,14,27-28,31-32,37-43H,13,15H2,(H,45,46)(H,47,48)/b10-3+/t27-,28-,31+,32-/m1/s1
InChIKey ABOFMZGCFQOHLN-BPEDTOSASA-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 718.625 g/mol
Sample ID 33286
Solvent ACETONE-D6