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KMGVACWSGSDVCI-DKAWZRJESA-N
SpectraBase Compound ID 3NtS4VqBmGR
InChI InChI=1S/C30H46O2.3CO.Fe/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7;3*1-2;/h8-11,19-21,24,26-28H,12-18H2,1-7H3;;;;/b9-8+;;;;/t20?,21-,24+,26-,27?,28?,29+,30-;;;;/m1..../s1
InChIKey KMGVACWSGSDVCI-SBBUDXDASA-N
Mol Weight 578.6 g/mol
Molecular Formula C33H46FeO5
Exact Mass 578.269461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A69G339z9X8
Name KMGVACWSGSDVCI-DKAWZRJESA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H46FeO5
InChI InChI=1S/C30H46O2.3CO.Fe/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7;3*1-2;/h8-11,19-21,24,26-28H,12-18H2,1-7H3;;;;/b9-8+;;;;/t20?,21-,24+,26-,27?,28?,29+,30-;;;;/m1..../s1
InChIKey KMGVACWSGSDVCI-SBBUDXDASA-N
Literature Reference Author R.E.PERRIER,M.J.MCGLINCHEY
Literature Reference Citation CAN.J.CHEM.,66,3003(1988)
Literature Reference DOI 10.1139/v88-466
Molecular Weight 578.572 g/mol
Solvent CDCl3
Source File Reference UWCS7927