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INFLEXARABDONIN-J;ENT-11-ALPHA,15-DIHYDROXY-KAUR-16-ENE-3-ONE
SpectraBase Compound ID CAa7TDTcBUY
InChI InChI=1S/C20H30O3/c1-11-12-9-13(21)16-19(4)7-6-15(22)18(2,3)14(19)5-8-20(16,10-12)17(11)23/h12-14,16-17,21,23H,1,5-10H2,2-4H3/t12-,13+,14-,16+,17-,19-,20-/m1/s1
InChIKey ZEYLLKMAEPADQS-SCNMDMPUSA-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 5hGTm0wAkRx
Name INFLEXARABDONIN-J;ENT-11-ALPHA,15-DIHYDROXY-KAUR-16-ENE-3-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-11-12-9-13(21)16-19(4)7-6-15(22)18(2,3)14(19)5-8-20(16,10-12)17(11)23/h12-14,16-17,21,23H,1,5-10H2,2-4H3/t12-,13+,14-,16+,17-,19-,20-/m1/s1
InChIKey ZEYLLKMAEPADQS-SCNMDMPUSA-N
Literature Reference Author Y.TAKEDA,T.ICHIHARA,K.YAMASAKI,H.OTSUKA,H.UTSUMI
Literature Reference Citation PHYTOCHEM.,32,145(1993)
Literature Reference DOI 10.1016/0031-9422(92)80121-T
Molecular Weight 318.456 g/mol
Solvent C5D5N
Source File Reference UWMS3560