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ISOSTEVIOL;ENT-16-OXOBEYERAN-19-OIC_ACID
SpectraBase Compound ID 2p0LOQv5MZI
InChI InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1
InChIKey KFVUFODCZDRVSS-XGBBNYNSSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXSYztxrMgi
Name ISOSTEVIOL
CAS Registry Number 27975-19-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1
InChIKey KFVUFODCZDRVSS-XGBBNYNSSA-N
Literature Reference Author N.P.D.NANAYAAKKARA,J.A.KLOCKE,C.M.COMPADRE,R.A.HUSSAIN,J.M.P EZZUTO,A.D.KINGHORN
Literature Reference Citation J.NAT.PROD.,50,434(1987)
Literature Reference DOI 10.1021/np50051a015
Molecular Weight 318.456 g/mol
Solvent PYRIDINE-D5
Source File Reference UWED17413