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(7S,7aS,14S,14aR)-3,3-Bis-phenylsulfanyl-dodecahydro-7,14-methano-dipyrido[1,2-a;1',2'-e][1,5]diazocin-4-one
SpectraBase Compound ID K07s5sVWQCa
InChI InChI=1S/C27H32N2OS2/c30-26-27(31-22-9-3-1-4-10-22,32-23-11-5-2-6-12-23)15-14-25-20-17-21(19-29(25)26)24-13-7-8-16-28(24)18-20/h1-6,9-12,20-21,24-25H,7-8,13-19H2/t20-,21-,24-,25+/m0/s1
InChIKey ALILPGLQXNCHGX-WIHVIGOGSA-N
Mol Weight 464.7 g/mol
Molecular Formula C27H32N2OS2
Exact Mass 464.195606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PC46LHWi1K
Name (7S,7aS,14S,14aR)-3,3-Bis-phenylsulfanyl-dodecahydro-7,14-methano-dipyrido[1,2-a;1',2'-e][1,5]diazocin-4-one
Alternate Name(s) 3,3-Di(phenylthio)lupanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N2OS2
InChI InChI=1S/C27H32N2OS2/c30-26-27(31-22-9-3-1-4-10-22,32-23-11-5-2-6-12-23)15-14-25-20-17-21(19-29(25)26)24-13-7-8-16-28(24)18-20/h1-6,9-12,20-21,24-25H,7-8,13-19H2/t20-,21-,24-,25+/m0/s1
InChIKey ALILPGLQXNCHGX-WIHVIGOGSA-N
Molecular Weight 464.686 g/mol
SMILES C1(N2[C@](CCC1(Sc1ccccc1)Sc1ccccc1)([C@@]1(CN3CCCC[C@]3([C@@](C2)([H])C1)[H])[H])[H])=O
SPLASH splash10-0002-4591000000-b2ef67a23b5cbd330dad
Source of Spectrum F-65-3457-6
Wiley ID 1684682