John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Ae2oDH8NXbX SpectraBase Spectrum ID=3lWE5M6P9Pq

(accessed ).
(1S,5R,5A-S,7A-S,7B-R)/(1S,5S,5A-S,7A-S,7B-R)-OCTAHYDRO-1-HYDROXY-5,7B-DIMETHYL-2H-CYCLOPENTA-[GH]-PYRROLIZIN-2-ONE
SpectraBase Compound ID Ae2oDH8NXbX
InChI InChI=1S/2C11H17NO2/c2*1-6-5-12-10(14)9(13)8-4-3-7(6)11(8,12)2/h2*6-9,13H,3-5H2,1-2H3/t6-,7+,8-,9+,11-;6-,7-,8+,9-,11+/m10/s1
InChIKey RPNRKSYRXDIUFX-MOONFPTOSA-N
Mol Weight 390.52 g/mol
Molecular Formula C22H34N2O4
Exact Mass 390.251858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lWE5M6P9Pq
Name (1S,5R,5A-S,7A-S,7B-R)/(1S,5S,5A-S,7A-S,7B-R)-OCTAHYDRO-1-HYDROXY-5,7B-DIMETHYL-2H-CYCLOPENTA-[GH]-PYRROLIZIN-2-ONE
Compound Number 10A:10B=15,2:1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34N2O4
InChI InChI=1S/2C11H17NO2/c2*1-6-5-12-10(14)9(13)8-4-3-7(6)11(8,12)2/h2*6-9,13H,3-5H2,1-2H3/t6-,7+,8-,9+,11-;6-,7-,8+,9-,11+/m10/s1
InChIKey RPNRKSYRXDIUFX-MOONFPTOSA-N
Literature Reference Author S.E.DENMARK,M.SEIERSTAD
Literature Reference Citation J.ORG.CHEM.,64,1610(1999)
Literature Reference DOI 10.1021/jo9820869
Molecular Weight 390.523 g/mol
Sample ID 39463
Solvent CDCl3
SpectraBase Batch ID AjRJmHxhL22