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ACACIIN;PEAK-II
SpectraBase Compound ID 7HsyQrWkYYy
InChI InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey YFVGIJBUXMQFOF-PJOVQGMDSA-N
Mol Weight 592.6 g/mol
Molecular Formula C28H32O14
Exact Mass 592.179206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KybUBuuXxi8
Name ACACETIN-7-O-RUTINOSIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32O14
InChI InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey YFVGIJBUXMQFOF-PJOVQGMDSA-N
Literature Reference Author K.E.SCHWINN,K.R.MARKHAM,N.K.GIVEN
Literature Reference Citation PHYTOCHEM.,35,145(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90523-5
Molecular Weight 592.554 g/mol
Solvent DMSO-D6
Source File Reference UWLU24109