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(4Z,9Z,20Z,25Z)-2,3,7,8,12,13,17,18,22,23,27,28-Didecamethyl-1,15,29,30,32,35-hexahydro-15-thia-hexapyrrin-1,29-dione
SpectraBase Compound ID 13yJzD2robO
InChI InChI=1S/C40H44N6O2S/c1-17-19(3)31(41-29(17)13-33-21(5)25(9)37(47)43-33)15-35-23(7)27(11)39(45-35)49-40-28(12)24(8)36(46-40)16-32-20(4)18(2)30(42-32)14-34-22(6)26(10)38(48)44-34/h13-16,41,46H,1-12H3,(H,43,47)(H,44,48)/b32-16+,33-13+,34-14+,35-15+
InChIKey YMXLOZQKGCWUSL-QGNFNPOQSA-N
Mol Weight 672.9 g/mol
Molecular Formula C40H44N6O2S
Exact Mass 672.324646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GSM7wJW7gT
Name (4Z,9Z,20Z,25Z)-2,3,7,8,12,13,17,18,22,23,27,28-Didecamethyl-1,15,29,30,32,35-hexahydro-15-thia-hexapyrrin-1,29-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H44N6O2S
InChI InChI=1S/C40H44N6O2S/c1-17-19(3)31(41-29(17)13-33-21(5)25(9)37(47)43-33)15-35-23(7)27(11)39(45-35)49-40-28(12)24(8)36(46-40)16-32-20(4)18(2)30(42-32)14-34-22(6)26(10)38(48)44-34/h13-16,41,46H,1-12H3,(H,43,47)(H,44,48)/b32-16+,33-13+,34-14+,35-15+
InChIKey YMXLOZQKGCWUSL-QGNFNPOQSA-N
Molecular Weight 672.892 g/mol
SMILES [nH]1c(SC2=N\C(=C\c3c(c(c(\C=C\4NC(C(=C4C)C)=O)[nH]3)C)C)C(=C2C)C)c(c(C)c1\C=C/1N=C(\C=C\2NC(C(=C2C)C)=O)C(=C1C)C)C
SPLASH splash10-0a4l-9102000000-1e6bfd38557199d97e88
Source of Spectrum AH-120-50-3
Synonyms (5E)-5-({5-[(E)-(5-{[5-((E)-{5-[(E)-(3,4-dimethyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-2H-pyrrol-2-ylidene}methyl)-3,4-dimethyl-1H-pyrrol-2-yl]sulfanyl}-3,4-dimethyl-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl}methylene)-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
Wiley ID 1414010