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RAC-(1R,2R/S,11R/S,13S,14S)-16-ETHYLENEACETAL-19,20-DIOXAPENTACYCLO-[11.5.3.0(1,14).0(2,11).0(5,10)]-HENICOSA-3,5,7,9-TETRAEN-20-ONE

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RAC-(1R,2R/S,11R/S,13S,14S)-16-ETHYLENEACETAL-19,20-DIOXAPENTACYCLO-[11.5.3.0(1,14).0(2,11).0(5,10)]-HENICOSA-3,5,7,9-TETRAEN-20-ONE
SpectraBase Compound ID 1412kcluPbP
InChI InChI=1S/C21H22O4/c22-19-16-11-15-14-4-2-1-3-13(14)5-6-17(15)21(25-19)8-7-20(12-18(16)21)23-9-10-24-20/h1-6,15-18H,7-12H2/t15?,16-,17?,18+,21+/m1/s1
InChIKey QISUURCJHQKUFQ-VEWZJTAXSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ELDmWmM3v8
Name RAC-(1R,2R/S,11R/S,13S,14S)-16-ETHYLENEACETAL-19,20-DIOXAPENTACYCLO-[11.5.3.0(1,14).0(2,11).0(5,10)]-HENICOSA-3,5,7,9-TETRAEN-20-ONE
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O4
InChI InChI=1S/C21H22O4/c22-19-16-11-15-14-4-2-1-3-13(14)5-6-17(15)21(25-19)8-7-20(12-18(16)21)23-9-10-24-20/h1-6,15-18H,7-12H2/t15?,16-,17?,18+,21+/m1/s1
InChIKey QISUURCJHQKUFQ-VEWZJTAXSA-N
Literature Reference Author M.BERNDT,I.HLOBILOVA,H.U.REISSIG
Literature Reference Citation ORG.LETTERS,6,957(2004)
Literature Reference DOI 10.1021/ol036456d
Molecular Weight 338.403 g/mol
Sample ID 50260
Solvent CDCl3