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TETRAACETYL-HYCANDINIC-ACID-ESTER-1
SpectraBase Compound ID H0k1A2ejaSR
InChI InChI=1S/C29H36O13/c1-7-8-13-37-28(35)29(42-20(5)33)15-24(39-18(3)31)27(40-19(4)32)25(16-29)41-26(34)12-10-21-9-11-22(38-17(2)30)23(14-21)36-6/h9-12,14,24-25,27H,7-8,13,15-16H2,1-6H3/b12-10+/t24-,25-,27-,29+/m0/s1
InChIKey WVOHLOPLIMIFEL-ACOIMAAYSA-N
Mol Weight 592.6 g/mol
Molecular Formula C29H36O13
Exact Mass 592.215591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID QrYLZsBOSR
Name TETRAACETYL-HYCANDINIC-ACID-ESTER-1
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O13
InChI InChI=1S/C29H36O13/c1-7-8-13-37-28(35)29(42-20(5)33)15-24(39-18(3)31)27(40-19(4)32)25(16-29)41-26(34)12-10-21-9-11-22(38-17(2)30)23(14-21)36-6/h9-12,14,24-25,27H,7-8,13,15-16H2,1-6H3/b12-10+/t24-,25-,27-,29+/m0/s1
InChIKey WVOHLOPLIMIFEL-ACOIMAAYSA-N
Literature Reference Author E.J.GENTRY,H.B.JAMPANI,A.KESHAVARZ-SHOKRI,M.D.MORTON,D.VANDE RVELDE,H.TELIKEPALLI
Literature Reference Citation J.NAT.PROD.,61,1187(1998)
Literature Reference DOI 10.1021/np9701889
Molecular Weight 592.597 g/mol
Solvent CDCl3
Source File Reference UWCP3877