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MARLIGNAN_N
SpectraBase Compound ID IlFgK2SYZUZ
InChI InChI=1S/C22H28O7/c1-10-7-12-8-14(26-3)21(28-5)19(24)16(12)17-13(18(23)11(10)2)9-15(27-4)22(29-6)20(17)25/h8-11,18,23-25H,7H2,1-6H3/t10-,11-,18+/m0/s1
InChIKey HEKJLNPRSYUANJ-LDLUMPKVSA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H28O7
Exact Mass 404.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5m1lvb8p8JI
Name MARLIGNAN_N
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-10-7-12-8-14(26-3)21(28-5)19(24)16(12)17-13(18(23)11(10)2)9-15(27-4)22(29-6)20(17)25/h8-11,18,23-25H,7H2,1-6H3/t10-,11-,18+/m0/s1
InChIKey HEKJLNPRSYUANJ-LDLUMPKVSA-N
Literature Reference Author G.Y.YANG,R.R.WANG,H.X.MU,Y.K.LI,X.N.LI,L.M.YANG,Y.T.ZHENG,W. L.XIAO,H.D.SUN
Literature Reference Citation J.NAT.PROD.,76,250(2013)
Literature Reference DOI 10.1021/np300745q
Molecular Weight 404.460 g/mol
Sample ID 42194
Solvent C5D5N