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(12R)-12-ACETOXYCASCARILLONE

View entire compound with spectra: 1 NMR

(12R)-12-ACETOXYCASCARILLONE
SpectraBase Compound ID BouHTAPikCm
InChI InChI=1S/C22H32O4/c1-14-6-8-21(4)15(2)10-18(24)11-20(21)22(14,5)12-19(26-16(3)23)17-7-9-25-13-17/h7,9,13-15,19-20H,6,8,10-12H2,1-5H3/t14-,15-,19-,20+,21+,22+/m1/s1
InChIKey OJNIHBUSTBHEMS-SAIKNWJPSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ApfVWptVJLU
Name (12R)-12-ACETOXYCASCARILLONE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-14-6-8-21(4)15(2)10-18(24)11-20(21)22(14,5)12-19(26-16(3)23)17-7-9-25-13-17/h7,9,13-15,19-20H,6,8,10-12H2,1-5H3/t14-,15-,19-,20+,21+,22+/m1/s1
InChIKey OJNIHBUSTBHEMS-SAIKNWJPSA-N
Literature Reference Author P.PUEBLA,J.L.LOPEZ,M.GUERRERO,R.CARRON,M.L.MARTIN,L.S.ROMAN, A.S.FELICIANO
Literature Reference Citation PHYTOCHEM.,62,551(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00516-2
Molecular Weight 360.494 g/mol
Solvent CDCl3
Source File Reference UWVN26848