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(12R)-12-HYDROXYCASCARILLONE
SpectraBase Compound ID LC9dVsVaxLe
InChI InChI=1S/C20H30O3/c1-13-5-7-19(3)14(2)9-16(21)10-18(19)20(13,4)11-17(22)15-6-8-23-12-15/h6,8,12-14,17-18,22H,5,7,9-11H2,1-4H3/t13-,14-,17-,18+,19+,20+/m1/s1
InChIKey HTVHDLXQOUSORC-IXFQNSDBSA-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 EnGoZTYkLFE
Name (12R)-12-HYDROXYCASCARILLONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-13-5-7-19(3)14(2)9-16(21)10-18(19)20(13,4)11-17(22)15-6-8-23-12-15/h6,8,12-14,17-18,22H,5,7,9-11H2,1-4H3/t13-,14-,17-,18+,19+,20+/m1/s1
InChIKey HTVHDLXQOUSORC-IXFQNSDBSA-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 318.456 g/mol
Solvent C6D6
Source File Reference UWVN26846