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ISOSCOPARIN_J;7-ALPHA,14-BETA-DIHYDROXY-ENT-KAUR-16-EN-11,15-DIOXO-18-AL
SpectraBase Compound ID NsdY6oMHSw
InChI InChI=1S/C20H26O5/c1-10-11-7-12(22)15-19(3)6-4-5-18(2,9-21)13(19)8-14(23)20(15,16(10)24)17(11)25/h9,11,13-15,17,23,25H,1,4-8H2,2-3H3/t11-,13+,14+,15-,17+,18+,19+,20+/m0/s1
InChIKey NVAKZXVVXNMSDA-AZLPZDFOSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5I08qhqtulN
Name ISOSCOPARIN_J;7-ALPHA,14-BETA-DIHYDROXY-ENT-KAUR-16-EN-11,15-DIOXO-18-AL
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-10-11-7-12(22)15-19(3)6-4-5-18(2,9-21)13(19)8-14(23)20(15,16(10)24)17(11)25/h9,11,13-15,17,23,25H,1,4-8H2,2-3H3/t11-,13+,14+,15-,17+,18+,19+,20+/m0/s1
InChIKey NVAKZXVVXNMSDA-AZLPZDFOSA-N
Literature Reference Author Y.ZHAO,J.X.PU,S.X.HUANG,Y.L.WU,L.B.YANG,W.L.XIAO,Q.B.HAN,G.Q .CHEN,H.D.SUN
Literature Reference Citation J.NAT.PROD.,72,125(2009)
Literature Reference DOI 10.1021/np800484j
Molecular Weight 346.423 g/mol
Sample ID 32059
Solvent C5D5N