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TRIACETYL-HYCANDINIC-ACID-ESTER-1
SpectraBase Compound ID JsN6SVIIrrD
InChI InChI=1S/C27H34O12/c1-6-7-12-35-26(32)27(33)14-22(37-17(3)29)25(38-18(4)30)23(15-27)39-24(31)11-9-19-8-10-20(36-16(2)28)21(13-19)34-5/h8-11,13,22-23,25,33H,6-7,12,14-15H2,1-5H3/b11-9+/t22-,23-,25-,27+/m0/s1
InChIKey DAUHCAITENJICQ-FYMRJVQJSA-N
Mol Weight 550.6 g/mol
Molecular Formula C27H34O12
Exact Mass 550.205027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2lEEMu442x
Name TRIACETYL-HYCANDINIC-ACID-ESTER-1
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34O12
InChI InChI=1S/C27H34O12/c1-6-7-12-35-26(32)27(33)14-22(37-17(3)29)25(38-18(4)30)23(15-27)39-24(31)11-9-19-8-10-20(36-16(2)28)21(13-19)34-5/h8-11,13,22-23,25,33H,6-7,12,14-15H2,1-5H3/b11-9+/t22-,23-,25-,27+/m0/s1
InChIKey DAUHCAITENJICQ-FYMRJVQJSA-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 550.560 g/mol
Solvent CDCl3
Source File Reference UWCP3876