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4-O-METHYLBENZOYLPAEONIFLORIN

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4-O-METHYLBENZOYLPAEONIFLORIN
SpectraBase Compound ID Kt6jxoBwT4b
InChI InChI=1S/C31H34O12/c1-28-15-30(37-2)20-13-31(28,29(20,27(42-28)43-30)16-39-25(36)18-11-7-4-8-12-18)41-26-23(34)22(33)21(32)19(40-26)14-38-24(35)17-9-5-3-6-10-17/h3-12,19-23,26-27,32-34H,13-16H2,1-2H3/t19-,20+,21-,22+,23-,26+,27+,28-,29-,30+,31-/m0/s1
InChIKey JKGAKVIDSBNDIH-XTATXPNQSA-N
Mol Weight 598.6 g/mol
Molecular Formula C31H34O12
Exact Mass 598.205027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQNOeOpsjd
Name 4-O-METHYLBENZOYLPAEONIFLORIN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34O12
InChI InChI=1S/C31H34O12/c1-28-15-30(37-2)20-13-31(28,29(20,27(42-28)43-30)16-39-25(36)18-11-7-4-8-12-18)41-26-23(34)22(33)21(32)19(40-26)14-38-24(35)17-9-5-3-6-10-17/h3-12,19-23,26-27,32-34H,13-16H2,1-2H3/t19-,20+,21-,22+,23-,26+,27+,28-,29-,30+,31-/m0/s1
InChIKey JKGAKVIDSBNDIH-XTATXPNQSA-N
Literature Reference Author W.J.DUAN,J.Y.YANG,L.X.CHEN,L.J.ZHANG,Z.H.JIANG,X.D.CAI,X.ZHA NG,F.QIU
Literature Reference Citation J.NAT.PROD.,72,1579(2009)
Literature Reference DOI 10.1021/np9001898
Molecular Weight 598.604 g/mol
Sample ID 33468
Solvent CD3OD