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acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-hexyl-6-keto-3-methylol-4-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester

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acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-hexyl-6-keto-3-methylol-4-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID P9imdFE5Y5
InChI InChI=1S/C24H34O4/c1-3-4-5-9-12-20-21(17-10-7-6-8-11-17)22-18(14-25)13-19(15-28-16(2)26)23(22)24(20)27/h6-8,10-11,18-23,25H,3-5,9,12-15H2,1-2H3/t18-,19+,20-,21-,22+,23+/m0/s1
InChIKey QSMDBEFIZPGCPI-BRXKOZLESA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Id3i6uyhK7k
Name acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-hexyl-6-keto-3-methylol-4-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-3-4-5-9-12-20-21(17-10-7-6-8-11-17)22-18(14-25)13-19(15-28-16(2)26)23(22)24(20)27/h6-8,10-11,18-23,25H,3-5,9,12-15H2,1-2H3/t18-,19+,20-,21-,22+,23+/m0/s1
InChIKey QSMDBEFIZPGCPI-BRXKOZLESA-N
Literature Reference Author A.BECHEANU,A.BARO,S.LASCHAT,W.FREY
Literature Reference Citation EUR.J.ORG.CHEM.,2215(2006)
Literature Reference DOI 10.1002/ejoc.200500966
Molecular Weight 386.532 g/mol
Sample ID 46535
Solvent CDCl3