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KELLERMANDIOLONE;15,16-EPOXY-3-BETA,6-BETA-DIHYDROXY-LABDA-8(17),13(16),14-TRIEN-12-ONE
SpectraBase Compound ID Kt3QS4Y83U9
InChI InChI=1S/C20H28O4/c1-12-9-16(22)18-19(2,3)17(23)5-7-20(18,4)14(12)10-15(21)13-6-8-24-11-13/h6,8,11,14,16-18,22-23H,1,5,7,9-10H2,2-4H3/t14-,16+,17-,18-,20+/m0/s1
InChIKey OAWQSRVHXWNLTG-PIUDJOPYSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KkZrtocwtE
Name KELLERMANDIOLONE;15,16-EPOXY-3-BETA,6-BETA-DIHYDROXY-LABDA-8(17),13(16),14-TRIEN-12-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-12-9-16(22)18-19(2,3)17(23)5-7-20(18,4)14(12)10-15(21)13-6-8-24-11-13/h6,8,11,14,16-18,22-23H,1,5,7,9-10H2,2-4H3/t14-,16+,17-,18-,20+/m0/s1
InChIKey OAWQSRVHXWNLTG-PIUDJOPYSA-N
Literature Reference Author A.ORTEGA,I.SALAZAR,R.GAVINO,E.MALDONADO
Literature Reference Citation PHYTOCHEM.,44,319(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00475-X
Molecular Weight 332.440 g/mol
Solvent CDCl3
Source File Reference UWPA85