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1H-Pyrrolizine, 1,1'-dithiobis[hexahydro-2-[(phenylmethyl)thio]-, [1.alpha.,2.beta.(1R*,2R*,7aR*),7a.alpha.]-(.+-.)-
SpectraBase Compound ID Jxiy2Dt0UX
InChI InChI=1S/C28H36N2S4/c1-3-9-21(10-4-1)19-31-25-17-29-15-7-13-23(29)27(25)33-34-28-24-14-8-16-30(24)18-26(28)32-20-22-11-5-2-6-12-22/h1-6,9-12,23-28H,7-8,13-20H2/t23-,24?,25-,26?,27-,28?/m0/s1
InChIKey VHAGXWPLPWZTIS-IHGGXRJPSA-N
Mol Weight 528.9 g/mol
Molecular Formula C28H36N2S4
Exact Mass 528.176134 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JMadfDioLO
Name 1H-Pyrrolizine, 1,1'-dithiobis[hexahydro-2-[(phenylmethyl)thio]-, [1.alpha.,2.beta.(1R*,2R*,7aR*),7a.alpha.]-(.+-.)-
CAS Registry Number 78719-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N2S4
InChI InChI=1S/C28H36N2S4/c1-3-9-21(10-4-1)19-31-25-17-29-15-7-13-23(29)27(25)33-34-28-24-14-8-16-30(24)18-26(28)32-20-22-11-5-2-6-12-22/h1-6,9-12,23-28H,7-8,13-20H2/t23-,24?,25-,26?,27-,28?/m0/s1
InChIKey VHAGXWPLPWZTIS-IHGGXRJPSA-N
Molecular Weight 528.850 g/mol
SMILES [C@@]1([C@](CN2[C@]1(CCC2)[H])(SCc1ccccc1)[H])(SSC1C(CN2C1CCC2)SCc1ccccc1)[H]
SPLASH splash10-0006-9550000000-bcc29448f404f4dade30
Source of Spectrum I-59-1104-0
Synonyms (1S,2S,7aS)-2-(benzylsulfanyl)-1-{[2-(benzylsulfanyl)hexahydro-1H-pyrrolo[1,2-a]pyrrol-1-yl]disulfanyl}hexahydro-1H-pyrrolo[1,2-a]pyrrole (1S,2S,7aS)-2-(benzylsulfanyl)hexahydro-1H-pyrrolo[1,2-a]pyrrol-1-yl 2-(benzylsulfanyl)hexahydro-1H-pyrrolo[1,2-a]pyrrol-1-yl disulfide 1.alpha.,1'.alpha.-dithio-2.beta.,2'.beta.-dithiobenzylpyrrolizidine (meso) 1.alpha.,1'.alpha.-dithio-2.beta.,2'.beta.-dithiobenzylpyrrolizidine (racemic)
Wiley ID 1403061