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Spiro[2H-cyclopenta[b]furan-3(3aH),2'-[1,3]dithian]-2-one, tetrahydro-6-(phenylseleno)-4-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-, [3aR-(3a.alpha.,4.alpha.,6.alpha.,6a.alpha.)]-
SpectraBase Compound ID 4sfbGfjDG0r
InChI InChI=1S/C22H28O4S2Se/c23-21-22(27-11-6-12-28-22)19-15(14-25-18-9-4-5-10-24-18)13-17(20(19)26-21)29-16-7-2-1-3-8-16/h1-3,7-8,15,17-20H,4-6,9-14H2/t15-,17-,18?,19-,20+/m1/s1
InChIKey ZJHDGTOJWNMMRH-RNINOARNSA-N
Mol Weight 499.55 g/mol
Molecular Formula C22H28O4S2Se
Exact Mass 500.059424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 542BOUVExqS
Name Spiro[2H-cyclopenta[b]furan-3(3aH),2'-[1,3]dithian]-2-one, tetrahydro-6-(phenylseleno)-4-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-, [3aR-(3a.alpha.,4.alpha.,6.alpha.,6a.alpha.)]-
CAS Registry Number 71404-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4S2Se
InChI InChI=1S/C22H28O4S2Se/c23-21-22(27-11-6-12-28-22)19-15(14-25-18-9-4-5-10-24-18)13-17(20(19)26-21)29-16-7-2-1-3-8-16/h1-3,7-8,15,17-20H,4-6,9-14H2/t15-,17-,18?,19-,20+/m1/s1
InChIKey ZJHDGTOJWNMMRH-RNINOARNSA-N
Molecular Weight 499.554 g/mol
SMILES C12([C@]3([C@@]([C@]([Se]c4ccccc4)(C[C@@]3(COC3OCCCC3)[H])[H])([H])OC2=O)[H])SCCCS1
SPLASH splash10-002b-3910000000-25ee0e249b601a9cfaeb
Source of Spectrum C-101-3889-0
Synonyms (3aR,4R,6S,6aR)-6-[(oxan-2-yloxy)methyl]-4-(phenylselanyl)-hexahydrospiro[cyclopenta[b]furan-1,2'-[1,3]dithiane]-2-one 3-Phenylseleno-5-tetrahydropyranylmethyl cyclopentyl propalenedithio acetic acid-.gamma.-lactone
Wiley ID 1398806