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6,9:20,23-Dietheno-29H,37H-dibenzo[i,e1][1,4,7,16,25,11,30]pentaoxad ithiacyclotritriacontin, 11,12,13,14,15,16,17,18,31,32,34,35-dodecahydro-, 5,24-dioxide, [5S-(5R*,24R*)]-
SpectraBase Compound ID KG5EoVzXr00
InChI InChI=1S/C38H44O7S2/c39-35-33-15-13-32(14-16-33)11-9-23-41-22-5-8-30-47-34-12-1-2-17-36(34)20-21-37(45-31-36)18-3-4-19-38(37,40)44-27-26-42-24-10-29-46-28-7-6-25-43-35/h1-10,12-13,15,17-19,22-23,25-30,32-35,39-40H,11,14,16,20-21,24,31H2/b22-5-,23-9-,25-6-,27-26-,28-7-,29-10-,30-8-
InChIKey JEBRWXCDWCVZSK-FXGUGLHNSA-N
Mol Weight 676.9 g/mol
Molecular Formula C38H44O7S2
Exact Mass 676.252846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nvzX5d1S92
Name 6,9:20,23-Dietheno-29H,37H-dibenzo[i,e1][1,4,7,16,25,11,30]pentaoxad ithiacyclotritriacontin, 11,12,13,14,15,16,17,18,31,32,34,35-dodecahydro-, 5,24-dioxide, [5S-(5R*,24R*)]-
CAS Registry Number 113344-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H44O7S2
InChI InChI=1S/C38H44O7S2/c39-35-33-15-13-32(14-16-33)11-9-23-41-22-5-8-30-47-34-12-1-2-17-36(34)20-21-37(45-31-36)18-3-4-19-38(37,40)44-27-26-42-24-10-29-46-28-7-6-25-43-35/h1-10,12-13,15,17-19,22-23,25-30,32-35,39-40H,11,14,16,20-21,24,31H2/b22-5-,23-9-,25-6-,27-26-,28-7-,29-10-,30-8-
InChIKey JEBRWXCDWCVZSK-FXGUGLHNSA-N
Molecular Weight 676.883 g/mol
SMILES OC1C2C=CC(C\C=C/O\C=C/C=C\SC3C4(COC5(C(O\C=C/OC\C=C/S\C=C/C=C\O1)(C=CC=C5)O)CC4)C=CC=C3)CC2
SPLASH splash10-01tk-9320000000-02d0ceaf22a655e801c6
Source of Spectrum B-40-77-32
Synonyms (S,S)-1,9-bis[o-(p,p'-octamethylenedioxyphenylsulfinyl)phenyl]-2,5,8-trioxanonane 12,21,30,33,40-pentaoxa-7,26-dithiapentacyclo[37.2.2.2(16,19).0(1,6).0(34,39)]pentatetraconta-2,4,8,10,13,17,22,24,27,31,35,37-dodecaene-20,34-diol
Wiley ID 1414176