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Andrographolide
SpectraBase Compound ID AmL7GXud41z
InChI InChI=1S/C26H42O9/c1-15-5-8-19-25(2,17(15)7-6-16(13-28)9-12-27)10-4-11-26(19,3)24(33)35-23-22(32)21(31)20(30)18(14-29)34-23/h9,17-23,27-32H,1,4-8,10-14H2,2-3H3/b16-9-/t17-,18+,19+,20+,21-,22+,23-,25+,26-/m1/s1
InChIKey CIKAITHYAAXIRY-FBJILTGJSA-N
Mol Weight 498.6 g/mol
Molecular Formula C26H42O9
Exact Mass 498.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYUdiRqiQn7
Name ANDROGRAPHOLIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H42O9
InChI InChI=1S/C26H42O9/c1-15-5-8-19-25(2,17(15)7-6-16(13-28)9-12-27)10-4-11-26(19,3)24(33)35-23-22(32)21(31)20(30)18(14-29)34-23/h9,17-23,27-32H,1,4-8,10-14H2,2-3H3/b16-9-/t17-,18+,19+,20+,21-,22+,23-,25+,26-/m1/s1
InChIKey CIKAITHYAAXIRY-FBJILTGJSA-N
Literature Reference Author Y.H.SHEN,R.T.LI,W.L.XIAO,G.XU,Z.W.LIN,Q.S.ZHAO,H.D.SUN
Literature Reference Citation J.NAT.PROD.,69,319(2006)
Literature Reference DOI 10.1021/np050160u
Molecular Weight 498.614 g/mol
Solvent C5D5N
Source File Reference UWMZ18050