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(4Z,1R*,1'R*,3S*,3AS*,7AS*)-4-ETHYLIDENE-5-(1',3',3'-TRIMETHYLCYCLOHEXYL)-1,3,3A,4,7,7A-HEXAHYDROISOBENZOFURAN-1,3-DIYL-DIACETATE;GRACILIN-A

View entire compound with spectra: 1 NMR

(4Z,1R*,1'R*,3S*,3AS*,7AS*)-4-ETHYLIDENE-5-(1',3',3'-TRIMETHYLCYCLOHEXYL)-1,3,3A,4,7,7A-HEXAHYDROISOBENZOFURAN-1,3-DIYL-DIACETATE;GRACILIN-A
SpectraBase Compound ID B48m2Nqcf8V
InChI InChI=1S/C23H34O5/c1-7-16-18(23(6)12-8-11-22(4,5)13-23)10-9-17-19(16)21(27-15(3)25)28-20(17)26-14(2)24/h7,10,17,19-21H,8-9,11-13H2,1-6H3/b16-7-/t17-,19+,20-,21+,23+/m1/s1
InChIKey APJJJQRQXHYHMQ-CEOYXFDISA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQUj2qELYap
Name (4Z,1R*,1'R*,3S*,3AS*,7AS*)-4-ETHYLIDENE-5-(1',3',3'-TRIMETHYLCYCLOHEXYL)-1,3,3A,4,7,7A-HEXAHYDROISOBENZOFURAN-1,3-DIYL-DIACETATE;GRACILIN-A
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-7-16-18(23(6)12-8-11-22(4,5)13-23)10-9-17-19(16)21(27-15(3)25)28-20(17)26-14(2)24/h7,10,17,19-21H,8-9,11-13H2,1-6H3/b16-7-/t17-,19+,20-,21+,23+/m1/s1
InChIKey APJJJQRQXHYHMQ-CEOYXFDISA-N
Literature Reference Author A.POINER,W.C.TAYLOR
Literature Reference Citation AUSTR.J.CHEM.,43,1713(1990)
Literature Reference DOI 10.1071/CH9901713
Molecular Weight 390.520 g/mol
Solvent Unknown
Source File Reference UWED9550