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5-HYDROXYSELAGINELLIC_ACID
SpectraBase Compound ID 69CKMBInA1T
InChI InChI=1S/C18H24N2O3/c1-12(16(22)23)7-8-18-9-10-19(2)17(18)20(3,4)15-6-5-13(21)11-14(15)18/h5-7,11,17H,8-10H2,1-4H3,(H-,21,22,23)/b12-7+/t17-,18+/m1/s1
InChIKey PYWQARTUKYQVMX-JVGUAYRASA-N
Mol Weight 316.4 g/mol
Molecular Formula C18H24N2O3
Exact Mass 316.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGZ0boCZYAu
Name 5-HYDROXYSELAGINELLIC_ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24N2O3
InChI InChI=1S/C18H24N2O3/c1-12(16(22)23)7-8-18-9-10-19(2)17(18)20(3,4)15-6-5-13(21)11-14(15)18/h5-7,11,17H,8-10H2,1-4H3,(H-,21,22,23)/b12-7+/t17-,18+/m1/s1
InChIKey PYWQARTUKYQVMX-JVGUAYRASA-N
Literature Reference Author Y.H.WANG,C.L.LONG,F.M.YANG,X.WANG,Q.Y.SUN,H.S.WANG,Y.N.SHI,G .H.TANG
Literature Reference Citation J.NAT.PROD.,72,1151(2009)
Literature Reference DOI 10.1021/np9001515
Molecular Weight 316.400 g/mol
Sample ID 33066
Solvent CD3OD