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ISOSCOPARIN_F;11-BETA,12-ALPHA,14-BETA-TRIHYDROXY-15-BETA-ACETOXY-ENT-KAUR-16-EN-7-ONE
SpectraBase Compound ID 7CS6560YMDl
InChI InChI=1S/C22H32O6/c1-10-14-15(25)16(26)17-21(5)8-6-7-20(3,4)12(21)9-13(24)22(17,18(14)27)19(10)28-11(2)23/h12,14-19,25-27H,1,6-9H2,2-5H3/t12-,14-,15-,16+,17+,18-,19-,21-,22+/m1/s1
InChIKey BCMXEXLNZDMRBV-CCFKJOQPSA-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 4BSUUM8VlZ3
Name ISOSCOPARIN_F;11-BETA,12-ALPHA,14-BETA-TRIHYDROXY-15-BETA-ACETOXY-ENT-KAUR-16-EN-7-ONE
Compound Number 3
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(25)16(26)17-21(5)8-6-7-20(3,4)12(21)9-13(24)22(17,18(14)27)19(10)28-11(2)23/h12,14-19,25-27H,1,6-9H2,2-5H3/t12-,14-,15-,16+,17+,18-,19-,21-,22+/m1/s1
InChIKey BCMXEXLNZDMRBV-CCFKJOQPSA-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 32056
Solvent ACETONE-D6