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ISODONHENRIN-A;15-ALPHA-ACETOXY-6-ALPHA-HYDROXY-20-OXO-6,11-ALPHA-EPOXY-6,7-SECO-ENT-KANR-16-EN-1-ALPHA,7-OLIDE
SpectraBase Compound ID 4U1SncSEAwJ
InChI InChI=1S/C22H28O7/c1-10-12-7-13-15-21(8-12,17(10)27-11(2)24)19(26)29-14-5-6-20(3,4)16(18(25)28-13)22(14,15)9-23/h9,12-18,25H,1,5-8H2,2-4H3/t12-,13+,14+,15-,16-,17-,18+,21+,22+/m1/s1
InChIKey JXRIWSKKASMDPB-CAHSFIEJSA-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 JPrVRfIWmfz
Name 15-ALPHA-ACETOXYL-6,11-ALPHA-EPOXY-6-ALPHA-HYDROXY-20-OXO-6,7-SECO-ENT-KAUR-16-EN-1,7-OLIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-10-12-7-13-15-21(8-12,17(10)27-11(2)24)19(26)29-14-5-6-20(3,4)16(18(25)28-13)22(14,15)9-23/h9,12-18,25H,1,5-8H2,2-4H3/t12-,13+,14+,15-,16-,17-,18+,21+,22+/m1/s1
InChIKey JXRIWSKKASMDPB-CAHSFIEJSA-N
Literature Reference Author R.J.XIE,F.L.YAN,G.F.HAI,R.J.HOU,M.M.DING,Y.X.BAI
Literature Reference Citation FITOTERAPIA,82,726(2011)
Literature Reference DOI 10.1016/j.fitote.2011.03.003
Molecular Weight 404.460 g/mol
Solvent C5D5N
Source File Reference UWDB1032