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METHYL-2-ALPHA,3-ALPHA,9-BETA-TRIHYDROXY-9-EPI-LABD-13(Z)-EN-15-OATE
SpectraBase Compound ID HxZe9nrjCiR
InChI InChI=1S/C21H36O5/c1-13(11-17(23)26-6)9-10-21(25)14(2)7-8-16-19(3,4)18(24)15(22)12-20(16,21)5/h11,14-16,18,22,24-25H,7-10,12H2,1-6H3/b13-11+/t14-,15-,16?,18-,20+,21+/m1/s1
InChIKey HLWQPWKHHFLJCJ-DRPFXASASA-N
Mol Weight 368.5 g/mol
Molecular Formula C21H36O5
Exact Mass 368.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ax3rZ7NwWYh
Name METHYL-2-ALPHA,3-ALPHA,9-BETA-TRIHYDROXY-9-EPI-LABD-13(Z)-EN-15-OATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O5
InChI InChI=1S/C21H36O5/c1-13(11-17(23)26-6)9-10-21(25)14(2)7-8-16-19(3,4)18(24)15(22)12-20(16,21)5/h11,14-16,18,22,24-25H,7-10,12H2,1-6H3/b13-11+/t14-,15-,16?,18-,20+,21+/m1/s1
InChIKey HLWQPWKHHFLJCJ-DRPFXASASA-N
Literature Reference Author M.C.CHAMY,J.A.GARBARINO,M.PIOVANO,J.L.LOPEZ-PEREZ,M.NICOLETT I,R.GANDOLFO,A.S.FEL
Literature Reference Citation PHYTOCHEM.,45,797(1997)
Literature Reference DOI 10.1016/S0031-9422(97)00047-2
Molecular Weight 368.514 g/mol
Solvent CDCl3
Source File Reference UWSP1573