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ISOSCOPARIN_E;11-BETA,12-ALPHA,14-BETA-TRIHYDROXY-7-ALPHA-ACETOXY-ENT-KAUR-16-EN-15-ONE
SpectraBase Compound ID 12AybJqjOkr
InChI InChI=1S/C22H32O6/c1-10-14-15(24)16(25)17-21(5)8-6-7-20(3,4)12(21)9-13(28-11(2)23)22(17,18(10)26)19(14)27/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13-,14-,15-,16-,17+,19-,21-,22-/m1/s1
InChIKey RMMOXMPERYSBTK-KZWYYKQKSA-N
Mol Weight 392.5 g/mol
Molecular Formula C22H32O6
Exact Mass 392.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlYQeuHb3Ec
Name ISOSCOPARIN_E;11-BETA,12-ALPHA,14-BETA-TRIHYDROXY-7-ALPHA-ACETOXY-ENT-KAUR-16-EN-15-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O6
InChI InChI=1S/C22H32O6/c1-10-14-15(24)16(25)17-21(5)8-6-7-20(3,4)12(21)9-13(28-11(2)23)22(17,18(10)26)19(14)27/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13-,14-,15-,16-,17+,19-,21-,22-/m1/s1
InChIKey RMMOXMPERYSBTK-KZWYYKQKSA-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 392.492 g/mol
Sample ID 32055
Solvent C5D5N