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BENZYL-12-OXO-13-OXATOTARA-7,9(11)-DIENE-14-BETA-CARBOXYLATE
SpectraBase Compound ID GQdYU39TRCv
InChI InChI=1S/C27H34O4/c1-18(2)27(24(29)30-17-19-10-7-6-8-11-19)20-12-13-22-25(3,4)14-9-15-26(22,5)21(20)16-23(28)31-27/h6-8,10-12,16,18,22H,9,13-15,17H2,1-5H3/t22?,26-,27-/m1/s1
InChIKey IUXANDHNFKXLFY-WHFUUQJGSA-N
Mol Weight 422.6 g/mol
Molecular Formula C27H34O4
Exact Mass 422.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B52sHr2HsV2
Name BENZYL-12-OXO-13-OXATOTARA-7,9(11)-DIENE-14-BETA-CARBOXYLATE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34O4
InChI InChI=1S/C27H34O4/c1-18(2)27(24(29)30-17-19-10-7-6-8-11-19)20-12-13-22-25(3,4)14-9-15-26(22,5)21(20)16-23(28)31-27/h6-8,10-12,16,18,22H,9,13-15,17H2,1-5H3/t22?,26-,27-/m1/s1
InChIKey IUXANDHNFKXLFY-WHFUUQJGSA-N
Literature Reference Author J.G.BENDALL,R.C.CAMBIE,P.S.RUTLEDGE,P.D.WOODGATE
Literature Reference Citation AUSTR.J.CHEM.,45,1005(1992)
Literature Reference DOI 10.1071/ch9921005
Molecular Weight 422.565 g/mol
Solvent CDCl3
Source File Reference UWVP6286