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Methyl 3,10,18,25-tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36)0(12,37).0(27,31)]dotetraconta-1(31),5,7,12,14,16(37),20,22,27,29,32,34,36(42),38,40-pentadecaene-38-carboxylate
SpectraBase Compound ID Aw0pwBaqHIc
InChI InChI=1S/C40H36O2S4/c1-42-40(41)37-17-29-15-16-32(37)22-46-26-36-10-4-8-34-24-44-20-28-13-11-27(12-14-28)19-43-23-33-7-3-9-35(25-45-21-29)38(33)30-5-2-6-31(18-30)39(34)36/h2-18H,19-26H2,1H3
InChIKey LONFHBOZQXDOQR-UHFFFAOYSA-N
Mol Weight 677.0 g/mol
Molecular Formula C40H36O2S4
Exact Mass 676.159815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8XO97cBYDu
Name Methyl 3,10,18,25-tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36)0(12,37).0(27,31)]dotetraconta-1(31),5,7,12,14,16(37),20,22,27,29,32,34,36(42),38,40-pentadecaene-38-carboxylate
CAS Registry Number 129678-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H36O2S4
InChI InChI=1S/C40H36O2S4/c1-42-40(41)37-17-29-15-16-32(37)22-46-26-36-10-4-8-34-24-44-20-28-13-11-27(12-14-28)19-43-23-33-7-3-9-35(25-45-21-29)38(33)30-5-2-6-31(18-30)39(34)36/h2-18H,19-26H2,1H3
InChIKey LONFHBOZQXDOQR-UHFFFAOYSA-N
Molecular Weight 676.966 g/mol
SMILES c12-c3c4CSCc5cc(C(=O)OC)c(CSCc6c(-c(c2)ccc1)c(CSCc1ccc(CSCc3ccc4)cc1)ccc6)cc5
SPLASH splash10-0h00-0302009000-efdbae2f1a0a9b5eecbd
Source of Spectrum K-124-401-12
Synonyms Methyl 3,10,18,25-tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36).0(12,37).0(27,31)]dotetraconta-1(31),5,7,12(37),13,15,20,22,27,29,32(42),33,35,38,40-pentadecaene-6-carboxylate
Wiley ID 1414183