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4,6-DI-O-ACETYL-HYGROPHORONE-A-(12);4,5-TRANS-4,6-DIACETOXY-5-HYDROXY-5-(1-HYDROXYTRIDECYL)-2-CYCLOPENTEN-1-ONE
SpectraBase Compound ID Ekhbpa1mp2P
InChI InChI=1S/C22H36O6/c1-4-5-6-7-8-9-10-11-12-13-14-20(27-17(2)23)22(26)19(25)15-16-21(22)28-18(3)24/h15-16,20-21,26H,4-14H2,1-3H3/t20?,21-,22+/m1/s1
InChIKey PJHFOPCCHLVEMN-PDQYLBCOSA-N
Mol Weight 396.5 g/mol
Molecular Formula C22H36O6
Exact Mass 396.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1CupivjNLDY
Name 4,6-DI-O-ACETYL-HYGROPHORONE-A-(12);4,5-TRANS-4,6-DIACETOXY-5-HYDROXY-5-(1-HYDROXYTRIDECYL)-2-CYCLOPENTEN-1-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36O6
InChI InChI=1S/C22H36O6/c1-4-5-6-7-8-9-10-11-12-13-14-20(27-17(2)23)22(26)19(25)15-16-21(22)28-18(3)24/h15-16,20-21,26H,4-14H2,1-3H3/t20?,21-,22+/m1/s1
InChIKey PJHFOPCCHLVEMN-PDQYLBCOSA-N
Literature Reference Author T.LUEBKEN,J.SCHMIDT,A.PORZEL,N.ARNOLD,L.WESSJOHANN
Literature Reference Citation PHYTOCHEM.,65,1061(2004)
Literature Reference DOI 10.1016/j.phytochem.2004.01.023
Molecular Weight 396.524 g/mol
Solvent CDCl3
Source File Reference UWVN31272