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METHYL-TRANS-2-(TRANS-4-TERT.-BUTYLCYCLOHEXYL)-METHYL-2,3-DIHYDROXY-1-OXOINDONYL-3-CARBOXYLATE
SpectraBase Compound ID JMSyWvspjMf
InChI InChI=1S/C22H30O5/c1-20(2,3)15-11-9-14(10-12-15)13-21(25)18(23)16-7-5-6-8-17(16)22(21,26)19(24)27-4/h5-8,14-15,25-26H,9-13H2,1-4H3/t14-,15-,21-,22+/m1/s1
InChIKey OGQXUTIBWAXYFA-ROFQSWJRSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KKs6fNgnkQz
Name METHYL-TRANS-2-(TRANS-4-TERT.-BUTYLCYCLOHEXYL)-METHYL-2,3-DIHYDROXY-1-OXOINDONYL-3-CARBOXYLATE
Compound Number 6 C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-20(2,3)15-11-9-14(10-12-15)13-21(25)18(23)16-7-5-6-8-17(16)22(21,26)19(24)27-4/h5-8,14-15,25-26H,9-13H2,1-4H3/t14-,15-,21-,22+/m1/s1
InChIKey OGQXUTIBWAXYFA-ROFQSWJRSA-N
Literature Reference Author I.D.CUNNINGHAM,T.N.DANKS,K.T.A.O.CONNELL,P.W.SCOTT
Literature Reference Citation J.ORG.CHEM.,64,7330(1999)
Literature Reference DOI 10.1021/jo990297n
Molecular Weight 374.477 g/mol
Sample ID 59352
Solvent CDCl3