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2,6,10,14,18,22,26,30-OCTAOXATRICYCLO-[29.3.1.3(15,18)]-OCTATRIACONTA-1(35),15(36),16,31,33,37-HEXAENE-5,11,21,27-TETRONE

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2,6,10,14,18,22,26,30-OCTAOXATRICYCLO-[29.3.1.3(15,18)]-OCTATRIACONTA-1(35),15(36),16,31,33,37-HEXAENE-5,11,21,27-TETRONE
SpectraBase Compound ID C13mrEVP9cE
InChI InChI=1S/C30H36O12/c31-27-9-17-35-23-5-1-6-24(21-23)36-18-10-28(32)40-14-4-16-42-30(34)12-20-38-26-8-2-7-25(22-26)37-19-11-29(33)41-15-3-13-39-27/h1-2,5-8,21-22H,3-4,9-20H2
InChIKey PJZSPXNIGRCAQF-UHFFFAOYSA-N
Mol Weight 588.6 g/mol
Molecular Formula C30H36O12
Exact Mass 588.220677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qeFU1SoZAG
Name 2,6,10,14,20,24,28,32-Octaoxa-tricyclo(31.3.1.1/15,19/)octatriaconta-1(36),15,17,19,33,34-hexaene-5,11,23,29-tetrone
CAS Registry Number 84594-48-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H36O12
InChI InChI=1S/C30H36O12/c31-27-9-17-35-23-5-1-6-24(21-23)36-18-10-28(32)40-14-4-16-42-30(34)12-20-38-26-8-2-7-25(22-26)37-19-11-29(33)41-15-3-13-39-27/h1-2,5-8,21-22H,3-4,9-20H2
InChIKey PJZSPXNIGRCAQF-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference M.E. Bibout, A. Samat, R. Faure, J. Elguero, Magn. Res. Chem. 23, 137 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3