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2,3-DICARBOXY-6,7-DIHYDROXY-1-(3',4'-DIHYDROXY)-PHENYL-1,2-DIHYDRONAPHTHALENE-9,5''-O-SHIKIMIC ACID ESTER
SpectraBase Compound ID uUKUqeeth5
InChI InChI=1S/C25H22O12/c26-14-2-1-9(4-15(14)27)20-12-8-17(29)16(28)5-10(12)3-13(21(20)24(34)35)25(36)37-19-7-11(23(32)33)6-18(30)22(19)31/h1-6,8,18-22,26-31H,7H2,(H,32,33)(H,34,35)/t18-,19-,20?,21?,22-/m1/s1
InChIKey LZDRVVOIQKWKHP-WWOKZEJKSA-N
Mol Weight 514.44 g/mol
Molecular Formula C25H22O12
Exact Mass 514.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EydCe2quwUL
Name 2,3-DICARBOXY-6,7-DIHYDROXY-1-(3',4'-DIHYDROXY)-PHENYL-1,2-DIHYDRO-NAPHTHALENE-9,5''-O-SHIKIMIC-ACID-ESTER
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22O12
InChI InChI=1S/C25H22O12/c26-14-2-1-9(4-15(14)27)20-12-8-17(29)16(28)5-10(12)3-13(21(20)24(34)35)25(36)37-19-7-11(23(32)33)6-18(30)22(19)31/h1-6,8,18-22,26-31H,7H2,(H,32,33)(H,34,35)/t18-,19-,20?,21?,22-/m1/s1
InChIKey LZDRVVOIQKWKHP-WWOKZEJKSA-N
Literature Reference Author F.CULLMANN,K.P.ADAM,H.BECKER
Literature Reference Citation PHYTOCHEM.,34,831(1993)
Literature Reference DOI 10.1016/0031-9422(93)85367-Z
Molecular Weight 514.442 g/mol
Solvent CD3OD
Source File Reference UWVN6715