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

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acetic acid [(1S,3R,3aS,4R,5R,6aS)-4-butyl-6-keto-3-methylol-5-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID ATKCgmlF54e
InChI InChI=1S/C22H30O4/c1-3-4-10-18-19-16(12-23)11-17(13-26-14(2)24)21(19)22(25)20(18)15-8-6-5-7-9-15/h5-9,16-21,23H,3-4,10-13H2,1-2H3/t16-,17+,18+,19+,20-,21+/m0/s1
InChIKey QNUGTUBYTQAEIF-LDIYZUBKSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Af9MfTvSRSk
Name acetic acid [(1S,3R,3aS,4R,5R,6aS)-4-butyl-6-keto-3-methylol-5-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-3-4-10-18-19-16(12-23)11-17(13-26-14(2)24)21(19)22(25)20(18)15-8-6-5-7-9-15/h5-9,16-21,23H,3-4,10-13H2,1-2H3/t16-,17+,18+,19+,20-,21+/m0/s1
InChIKey QNUGTUBYTQAEIF-LDIYZUBKSA-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 358.478 g/mol
Sample ID 46537
Solvent CDCl3