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cis-3,11,18,26-Tetrathiapentacyclo[26.2.2.2(13,16).1(5,9).1(20,24)]hexatriaconta-1(30),13,15,28,31,33-hexaene

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cis-3,11,18,26-Tetrathiapentacyclo[26.2.2.2(13,16).1(5,9).1(20,24)]hexatriaconta-1(30),13,15,28,31,33-hexaene
SpectraBase Compound ID B5dc9CJIMqL
InChI InChI=1S/C32H44S4/c1-3-29-15-30(4-1)22-34-18-26-9-13-28(14-10-26)20-36-24-32-6-2-5-31(16-32)23-35-19-27-11-7-25(8-12-27)17-33-21-29/h7-14,29-32H,1-6,15-24H2/t29-,30+,31?,32?
InChIKey WYCUMERDNKSWFY-KCQVGWNLSA-N
Mol Weight 556.9 g/mol
Molecular Formula C32H44S4
Exact Mass 556.232586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MTTBmPeoAU
Name cis-3,11,18,26-Tetrathiapentacyclo[26.2.2.2(13,16).1(5,9).1(20,24)]hexatriaconta-1(30),13,15,28,31,33-hexaene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H44S4
InChI InChI=1S/C32H44S4/c1-3-29-15-30(4-1)22-34-18-26-9-13-28(14-10-26)20-36-24-32-6-2-5-31(16-32)23-35-19-27-11-7-25(8-12-27)17-33-21-29/h7-14,29-32H,1-6,15-24H2/t29-,30+,31?,32?
InChIKey WYCUMERDNKSWFY-KCQVGWNLSA-N
Molecular Weight 556.944 g/mol
SMILES C1SC[C@@]2(C[C@](CSCc3ccc(CSCC4CC(CSCc5ccc1cc5)CCC4)cc3)(CCC2)[H])[H]
SPLASH splash10-0udi-0900010000-2647d0a701d80c98a064
Source of Spectrum KC-0-1727-12
Synonyms (5R,9S)-3,11,18,26-tetrathiapentacyclo[26.2.2.2(13,16).1(5,9).1(20,24)]hexatriaconta-1(30),13,15,28,31,33-hexaene
Wiley ID 828469