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CANDICANDIOL-7-ALPHA-MONOACETATE

View entire compound with spectra: 1 NMR

CANDICANDIOL-7-ALPHA-MONOACETATE
SpectraBase Compound ID IAxGN5ALeFU
InChI InChI=1S/C22H34O3/c1-14-11-22-12-16(14)6-7-17(22)21(4)9-5-8-20(3,13-23)18(21)10-19(22)25-15(2)24/h16-19,23H,1,5-13H2,2-4H3/t16-,17+,18-,19-,20-,21+,22+/m1/s1
InChIKey AEEKIKNDLRNSJD-LTABAFLCSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92DdLwZGdfj
Name CANDICANDIOL-7-ALPHA-MONOACETATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-14-11-22-12-16(14)6-7-17(22)21(4)9-5-8-20(3,13-23)18(21)10-19(22)25-15(2)24/h16-19,23H,1,5-13H2,2-4H3/t16-,17+,18-,19-,20-,21+,22+/m1/s1
InChIKey AEEKIKNDLRNSJD-LTABAFLCSA-N
Literature Reference Author B.M.FRAGA,C.BRESSA,P.GONZALEZ,R.GIULLERMO,M.C.HERNANDEZ,S.SU AEREZ
Literature Reference Citation PHYTOCHEM.,68,1557(2007)
Literature Reference DOI 10.1016/j.phytochem.2007.03.024
Molecular Weight 346.510 g/mol
Sample ID 62339
Solvent CDCl3