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(3S,9R)-3-(acetyloxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,3a,5,6,7,8,8a,9,9a-decahydrobenzo[f]isoindole-9-carboxylic acid

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(3S,9R)-3-(acetyloxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,3a,5,6,7,8,8a,9,9a-decahydrobenzo[f]isoindole-9-carboxylic acid
SpectraBase Compound ID PxiljOgJvn
InChI InChI=1S/C21H31NO6/c1-12(23)27-11-17-15-9-13-7-5-6-8-14(13)18(19(24)25)16(15)10-22(17)20(26)28-21(2,3)4/h9,14-18H,5-8,10-11H2,1-4H3,(H,24,25)/t14?,15?,16?,17-,18-/m1/s1
InChIKey UTSPCEAAVMKVDM-QGPAGSFOSA-N
Mol Weight 393.48 g/mol
Molecular Formula C21H31NO6
Exact Mass 393.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfEKPdCnlFY
Name (3S,9R)-3-(acetyloxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,3a,5,6,7,8,8a,9,9a-decahydrobenzo[f]isoindole-9-carboxylic acid
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31NO6
InChI InChI=1S/C21H31NO6/c1-12(23)27-11-17-15-9-13-7-5-6-8-14(13)18(19(24)25)16(15)10-22(17)20(26)28-21(2,3)4/h9,14-18H,5-8,10-11H2,1-4H3,(H,24,25)/t14?,15?,16?,17-,18-/m1/s1
InChIKey UTSPCEAAVMKVDM-QGPAGSFOSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 393.480 g/mol
Source File Reference MHKO3262