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CIS-1-ACETOXY-2-BENZOYLOXY-1,2-DIHYDROACRONYCINE
SpectraBase Compound ID 1zn3LXqLMVs
InChI InChI=1S/C29H27NO7/c1-16(31)35-26-23-21(37-29(2,3)27(26)36-28(33)17-11-7-6-8-12-17)15-20(34-5)22-24(23)30(4)19-14-10-9-13-18(19)25(22)32/h6-15,26-27H,1-5H3/t26-,27-/m0/s1
InChIKey GQMXKHINMAFGIO-SVBPBHIXSA-N
Mol Weight 501.54 g/mol
Molecular Formula C29H27NO7
Exact Mass 501.178752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBQIu1LJZts
Name CIS-1-ACETOXY-2-BENZOYLOXY-1,2-DIHYDROACRONYCINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27NO7
InChI InChI=1S/C29H27NO7/c1-16(31)35-26-23-21(37-29(2,3)27(26)36-28(33)17-11-7-6-8-12-17)15-20(34-5)22-24(23)30(4)19-14-10-9-13-18(19)25(22)32/h6-15,26-27H,1-5H3/t26-,27-/m0/s1
InChIKey GQMXKHINMAFGIO-SVBPBHIXSA-N
Literature Reference Author E.MIKROS,S.MITAKU,A.L.SKALTSOUNIS,F.LIBOT,F.TILLEQUIN,M.KOCH
Literature Reference Citation MAGN.RES.CHEM.,37,498(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199907)37:7<498::aid-mrc490>3.3.co;2-g
Molecular Weight 501.536 g/mol
Solvent CDCl3
Source File Reference UWRU4015