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[1R*-(3S*-1.alpha.,3a.alpha.,6a.alpha.)]-1-ethyl-1-hydroxy-3,4,4a,5,6,7-hexahydro-3-methyl-6a-nitro-1,3a,4,5,6,6a-hexahydropentalen-2-one

View entire compound with spectra: 1 MS (GC)

[1R*-(3S*-1.alpha.,3a.alpha.,6a.alpha.)]-1-ethyl-1-hydroxy-3,4,4a,5,6,7-hexahydro-3-methyl-6a-nitro-1,3a,4,5,6,6a-hexahydropentalen-2-one
SpectraBase Compound ID EnmEjuR4vgm
InChI InChI=1S/C11H17NO4/c1-3-11(14)9(13)7(2)8-5-4-6-10(8,11)12(15)16/h7-8,14H,3-6H2,1-2H3/t7-,8+,10-,11-/m0/s1
InChIKey WGXNIUCVNGXKRC-OEIWMXHLSA-N
Mol Weight 227.26 g/mol
Molecular Formula C11H17NO4
Exact Mass 227.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43oNrpUljXu
Name [1R*-(3S*-1.alpha.,3a.alpha.,6a.alpha.)]-1-ethyl-1-hydroxy-3,4,4a,5,6,7-hexahydro-3-methyl-6a-nitro-1,3a,4,5,6,6a-hexahydropentalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c1-3-11(14)9(13)7(2)8-5-4-6-10(8,11)12(15)16/h7-8,14H,3-6H2,1-2H3/t7-,8+,10-,11-/m0/s1
InChIKey WGXNIUCVNGXKRC-OEIWMXHLSA-N
Molecular Weight 227.260 g/mol
SMILES O[C@@]1([C@@]2(N(=O)=O)[C@@]([C@](C)(C1=O)[H])(CCC2)[H])CC
SPLASH splash10-0a4i-9500000000-de7ef3aada45cacc03b8
Source of Spectrum KC-1991-1651-28
Synonyms (1R,3S,3aR,6aS)-1-ethyl-1-hydroxy-3-methyl-6a-nitrohexahydro-2(1H)-pentalenone
Wiley ID 1228520