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PABULARIN-A

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PABULARIN-A
SpectraBase Compound ID 5yjvMAk1FxY
InChI InChI=1S/C28H30O13/c1-13-24(16(30)7-9-35-13)41-27-26(23(33)22(32)19(11-29)39-27)40-20(28(2,3)34)12-37-25-14-4-5-21(31)38-18(14)10-17-15(25)6-8-36-17/h4-10,19-20,22-23,26-27,29,32-34H,11-12H2,1-3H3/t19-,20?,22-,23+,26-,27+/m0/s1
InChIKey ISXGHEKJMRQGFQ-XNNZCIIASA-N
Mol Weight 574.54 g/mol
Molecular Formula C28H30O13
Exact Mass 574.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2J9ULeBZ1v8
Name PABULARIN-A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30O13
InChI InChI=1S/C28H30O13/c1-13-24(16(30)7-9-35-13)41-27-26(23(33)22(32)19(11-29)39-27)40-20(28(2,3)34)12-37-25-14-4-5-21(31)38-18(14)10-17-15(25)6-8-36-17/h4-10,19-20,22-23,26-27,29,32-34H,11-12H2,1-3H3/t19-,20?,22-,23+,26-,27+/m0/s1
InChIKey ISXGHEKJMRQGFQ-XNNZCIIASA-N
Literature Reference Author Y.TADA,Y.SHIKISHIMA,Y.TAKAISHI,H.SHIBATA,T.HIGUTI,G.HONDA,M. ITO,Y.TAKEDA,O.K.KOD
Literature Reference Citation PHYTOCHEM.,59,649(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00023-7
Molecular Weight 574.538 g/mol
Solvent Unknown
Source File Reference UWVN2767