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(3.beta.,8a.alpha.)-1,2,3,5,6,7,8,8a-Octahydro-8a.beta.-carbomethoxy-7,7-ethylenedioxy-3.alpha.-((o-nitrophenyl)seleno)naphthalene
SpectraBase Compound ID 371908JnYUo
InChI InChI=1S/C20H23NO6Se/c1-25-18(22)20-13-19(26-11-12-27-19)10-9-14(20)5-4-8-17(20)28-16-7-3-2-6-15(16)21(23)24/h2-3,5-7,17H,4,8-13H2,1H3/t17?,20-/m0/s1
InChIKey DDCSMSPTZDOEGA-OZBJMMHXSA-N
Mol Weight 452.38 g/mol
Molecular Formula C20H23NO6Se
Exact Mass 453.069059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5a3LdJWrSo8
Name (3.beta.,8a.alpha.)-1,2,3,5,6,7,8,8a-Octahydro-8a.beta.-carbomethoxy-7,7-ethylenedioxy-3.alpha.-((o-nitrophenyl)seleno)naphthalene
CAS Registry Number 96792-34-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO6Se
InChI InChI=1S/C20H23NO6Se/c1-25-18(22)20-13-19(26-11-12-27-19)10-9-14(20)5-4-8-17(20)28-16-7-3-2-6-15(16)21(23)24/h2-3,5-7,17H,4,8-13H2,1H3/t17?,20-/m0/s1
InChIKey DDCSMSPTZDOEGA-OZBJMMHXSA-N
Molecular Weight 452.377 g/mol
SMILES [C@@]12(C([Se]c3c(N(=O)=O)cccc3)CCC=C1CCC1(C2)OCCO1)C(=O)OC
SPLASH splash10-0udu-7970000000-d431a5eb19afce0ed62c
Source of Spectrum J-50-2987-27
Synonyms (3.alpha.,8a.alpha.)-1,2,3,5,6,7,8,8a-Octahydro-8a.beta.-carbomethoxy-7,7-ethylenedioxy-3.beta.-((o-nitrophenyl)seleno)naphthalene Methyl (8'aR)-8'-[(2-nitrophenyl)selanyl]-3',4',6',7',8',8'a-hexahydro-1'H-spiro[1,3-dioxolane-2,2'-naphthalene]-8'a-carboxylate
Wiley ID 1388465