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2-ALPHA-HYDROXY-DEACETYL-AJUGARIN-V;4-ALPHA,18-EPOXY-2-ALPHA,6-ALPHA-DIHYDROXY-13-NEOCLERODEN-15,16-OLIDE
SpectraBase Compound ID QCCqgl4ZGS
InChI InChI=1S/C20H30O5/c1-12-6-16(22)19(3)15(8-14(21)9-20(19)11-25-20)18(12,2)5-4-13-7-17(23)24-10-13/h7,12,14-16,21-22H,4-6,8-11H2,1-3H3/t12-,14-,15-,16+,18+,19+,20+/m0/s1
InChIKey NWWRMGWINPNNEM-VMGIJKDMSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mVXetGFflV
Name 2-ALPHA-HYDROXY-DEACETYL-AJUGARIN-V;4-ALPHA,18-EPOXY-2-ALPHA,6-ALPHA-DIHYDROXY-13-NEOCLERODEN-15,16-OLIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-12-6-16(22)19(3)15(8-14(21)9-20(19)11-25-20)18(12,2)5-4-13-7-17(23)24-10-13/h7,12,14-16,21-22H,4-6,8-11H2,1-3H3/t12-,14-,15-,16+,18+,19+,20+/m0/s1
InChIKey NWWRMGWINPNNEM-VMGIJKDMSA-N
Literature Reference Author B.ESQUIVEL,E.FLORES,S.HERNANDEZ-ORTEGA,R.A.TOSCANO
Literature Reference Citation PHYTOCHEM.,38,175(1995)
Literature Reference DOI 10.1016/0031-9422(94)00531-W
Molecular Weight 350.455 g/mol
Solvent CDCl3
Source File Reference UWMS4645