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(1R,3S,4S,5S,6S,9R)-4,9-Dimethyl-5-(phenylseleno)-3-(tetrahydropyran-2-yloxy)-7-oxabicyclo[4.3.0]nonane
SpectraBase Compound ID IW6AIbMDYg6
InChI InChI=1S/C21H30O3Se/c1-14-13-23-20-17(14)12-18(24-19-10-6-7-11-22-19)15(2)21(20)25-16-8-4-3-5-9-16/h3-5,8-9,14-15,17-21H,6-7,10-13H2,1-2H3/t14-,15-,17+,18-,19?,20-,21-/m0/s1
InChIKey URSUXJVDGZGCAA-CWKOXNHOSA-N
Mol Weight 409.44 g/mol
Molecular Formula C21H30O3Se
Exact Mass 410.136017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RUC5UyWLau
Name (1R,3S,4S,5S,6S,9R)-4,9-Dimethyl-5-(phenylseleno)-3-(tetrahydropyran-2-yloxy)-7-oxabicyclo[4.3.0]nonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3Se
InChI InChI=1S/C21H30O3Se/c1-14-13-23-20-17(14)12-18(24-19-10-6-7-11-22-19)15(2)21(20)25-16-8-4-3-5-9-16/h3-5,8-9,14-15,17-21H,6-7,10-13H2,1-2H3/t14-,15-,17+,18-,19?,20-,21-/m0/s1
InChIKey URSUXJVDGZGCAA-CWKOXNHOSA-N
Molecular Weight 409.440 g/mol
SMILES [C@@]1([C@@]2([C@]([C@@](C)(CO2)[H])([H])C[C@@]([C@@]1(C)[H])(OC1OCCCC1)[H])[H])([Se]c1ccccc1)[H]
SPLASH splash10-000i-9100000000-99892f968dbdcafbd237
Source of Spectrum E1-39-2519-16
Synonyms (3R,3aR,5S,6S,7S,7aS)-3,6-dimethyl-7-(phenylselanyl)-5-(tetrahydro-2H-pyran-2-yloxy)octahydro-1-benzofuran (3R,3aR,5S,6S,7S,7aS)-3,6-dimethyl-7-(phenylselanyl)octahydro-1-benzofuran-5-yl tetrahydro-2H-pyran-2-yl ether
Wiley ID 1519063