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acetic acid [(1S,3R,3aS,4R,5R,6aS)-6-keto-4-methyl-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)-6-keto-4-methyl-3-methylol-5-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID GrUrmUu9my2
InChI InChI=1S/C19H24O4/c1-11-16-14(9-20)8-15(10-23-12(2)21)18(16)19(22)17(11)13-6-4-3-5-7-13/h3-7,11,14-18,20H,8-10H2,1-2H3/t11-,14+,15-,16+,17-,18-/m1/s1
InChIKey HZDGNNOXJMWRAR-JNLAQROYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C19H24O4
Exact Mass 316.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSqudHLNhRG
Name acetic acid [(1S,3R,3aS,4R,5R,6aS)-6-keto-4-methyl-3-methylol-5-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H24O4
InChI InChI=1S/C19H24O4/c1-11-16-14(9-20)8-15(10-23-12(2)21)18(16)19(22)17(11)13-6-4-3-5-7-13/h3-7,11,14-18,20H,8-10H2,1-2H3/t11-,14+,15-,16+,17-,18-/m1/s1
InChIKey HZDGNNOXJMWRAR-JNLAQROYSA-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 316.397 g/mol
Sample ID 46536
Solvent CDCl3