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SWERTIASIDE;7-EPI-(META-HYDROXYBENZOYL)-LOGANIC_ACID
SpectraBase Compound ID 8rhysJocwU8
InChI InChI=1S/C23H28O12/c1-9-14(33-21(31)10-3-2-4-11(25)5-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12+,14+,15-,16+,17-,18+,19-,22-,23+/m0/s1
InChIKey BSMWQZICWPFTBG-SQEZSCGBSA-N
Mol Weight 496.47 g/mol
Molecular Formula C23H28O12
Exact Mass 496.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNbged4rIU9
Name SWERTIASIDE;7-EPI-(META-HYDROXYBENZOYL)-LOGANIC_ACID
Compound Number 180
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28O12
InChI InChI=1S/C23H28O12/c1-9-14(33-21(31)10-3-2-4-11(25)5-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12+,14+,15-,16+,17-,18+,19-,22-,23+/m0/s1
InChIKey BSMWQZICWPFTBG-SQEZSCGBSA-N
Literature Reference Author C.A.BOROS,F.R.STERMITZ
Literature Reference Citation J.NAT.PROD.,53,1055(1990)
Literature Reference DOI 10.1021/np50071a001
Molecular Weight 496.468 g/mol
Solvent CD3OD
Source File Reference UWMZ16162