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ENT-16-ALPHA-HYDROXY-KAUR-11-EN-18-OIC_ACID
SpectraBase Compound ID JOMACkaHHhh
InChI InChI=1S/C20H30O3/c1-17-8-4-9-18(2,16(21)22)14(17)7-10-20-11-13(5-6-15(17)20)19(3,23)12-20/h5-6,13-15,23H,4,7-12H2,1-3H3,(H,21,22)/t13-,14+,15+,17-,18+,19-,20+/m1/s1
InChIKey PBADTGZBFPSKOQ-UREAJCHJSA-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 Gyh4toIZfZC
Name ENT-16-ALPHA-HYDROXY-KAUR-11-EN-18-OIC_ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-17-8-4-9-18(2,16(21)22)14(17)7-10-20-11-13(5-6-15(17)20)19(3,23)12-20/h5-6,13-15,23H,4,7-12H2,1-3H3,(H,21,22)/t13-,14+,15+,17-,18+,19-,20+/m1/s1
InChIKey PBADTGZBFPSKOQ-UREAJCHJSA-N
Literature Reference Author A.LEVERRIER,M.T.MARTIN,C.SERVY,J.QUAZZANI,P.RETAILLEAU,K.AWA NG,M.R.MUKHTAR,F.GUE
Literature Reference Citation J.NAT.PROD.,73,1121(2010)
Literature Reference DOI 10.1021/np100145n
Molecular Weight 318.456 g/mol
Sample ID 35701
Solvent CD3OD