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Macrocyclic diacylglycerol disulfide (28-Hydroxymethyl-12,15-di-n-hexyl-13,14-dithia-27,30-dioxacyclotriacontane-1,26-dione)
SpectraBase Compound ID Cd5JlcsjON9
InChI InChI=1S/C39H74O5S2/c1-3-5-7-21-27-36-29-23-17-13-9-11-15-19-25-31-38(41)43-34-35(33-40)44-39(42)32-26-20-16-12-10-14-18-24-30-37(46-45-36)28-22-8-6-4-2/h35-37,40H,3-34H2,1-2H3
InChIKey RSANBOXLNRZZDC-UHFFFAOYSA-N
Mol Weight 687.1 g/mol
Molecular Formula C39H74O5S2
Exact Mass 686.497768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKuY92wJFRr
Name Macrocyclic diacylglycerol disulfide (28-Hydroxymethyl-12,15-di-n-hexyl-13,14-dithia-27,30-dioxacyclotriacontane-1,26-dione)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H74O5S2
InChI InChI=1S/C39H74O5S2/c1-3-5-7-21-27-36-29-23-17-13-9-11-15-19-25-31-38(41)43-34-35(33-40)44-39(42)32-26-20-16-12-10-14-18-24-30-37(46-45-36)28-22-8-6-4-2/h35-37,40H,3-34H2,1-2H3
InChIKey RSANBOXLNRZZDC-UHFFFAOYSA-N
Molecular Weight 687.136 g/mol
SMILES OCC1OC(CCCCCCCCCCC(SSC(CCCCCC)CCCCCCCCCCC(OC1)=O)CCCCCC)=O
SPLASH splash10-014r-9276201000-617e57d69e4de2947591
Source of Spectrum AT-37-5772-3
Wiley ID 853665