[(1r,3s,4r,6r,7r,9s,10s,12r,13s,15s,16r,18s,19s,21s,22s,24s,25s,27s,28r,30r,31r,33s,34s,36r,37r,39r,40s,42r,44r,46s,48s,50r,52s,54s,56s)-46,48,50,52,54,56-hexakis(hydroxymethyl)-2,8,14,20,26,32,38,43,45,47,49,51,53,55-tetradecaoxa-5,11,17,23,29,35,41-heptathiapentadecacyclo[37.3.2.23,7.29,13.215,19.221,25.227,31.233,37.04,6.010,12.016,18.022,24.028,30.034,36.040,42]hexapentacontan-44-yl]methanol (CED0128143)

Record Information
Version1.0
Creation Date2026-08-22 14:23:55 UTC
Update Date2026-08-22 14:23:55 UTC
Accession NumberCHEM216429
Identification
Common Name[(1r,3s,4r,6r,7r,9s,10s,12r,13s,15s,16r,18s,19s,21s,22s,24s,25s,27s,28r,30r,31r,33s,34s,36r,37r,39r,40s,42r,44r,46s,48s,50r,52s,54s,56s)-46,48,50,52,54,56-hexakis(hydroxymethyl)-2,8,14,20,26,32,38,43,45,47,49,51,53,55-tetradecaoxa-5,11,17,23,29,35,41-heptathiapentadecacyclo[37.3.2.23,7.29,13.215,19.221,25.227,31.233,37.04,6.010,12.016,18.022,24.028,30.034,36.040,42]hexapentacontan-44-yl]methanol
ClassSmall Molecule
Description
[(1r,3s,4r,6r,7r,9s,10s,12r,13s,15s,16r,18s,19s,21s,22s,24s,25s,27s,28r,30r,31r,33s,34s,36r,37r,39r,40s,42r,44r,46s,48s,50r,52s,54s,56s)-46,48,50,52,54,56-hexakis(hydroxymethyl)-2,8,14,20,26,32,38,43,45,47,49,51,53,55-tetradecaoxa-5,11,17,23,29,35,41-heptathiapentadecacyclo[37.3.2.23,7.29,13.215,19.221,25.227,31.233,37.04,6.010,12.016,18.022,24.028,30.034,36.040,42]hexapentacontan-44-yl]methanol belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 1,121 g/mol, [(1r,3s,4r,6r,7r,9s,10s,12r,13s,15s,16r,18s,19s,21s,22s,24s,25s,27s,28r,30r,31r,33s,34s,36r,37r,39r,40s,42r,44r,46s,48s,50r,52s,54s,56s)-46,48,50,52,54,56-hexakis(hydroxymethyl)-2,8,14,20,26,32,38,43,45,47,49,51,53,55-tetradecaoxa-5,11,17,23,29,35,41-heptathiapentadecacyclo[37.3.2.23,7.29,13.215,19.221,25.227,31.233,37.04,6.010,12.016,18.022,24.028,30.034,36.040,42]hexapentacontan-44-yl]methanol is a heavy molecule. This compound has the chemical formula C42H56O21S7. The substance is found in or released from eight recorded sources. These sources include electrical and electronic equipment such as amplifiers, antennas, relays, adjustable resistors, and loudspeakers. Additionally, it is associated with building and construction materials, specifically ceilings and floors. It is also found in household cleaning and consumer products, specifically soap dispensers.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC42H56O21S7
Average Molecular Mass1121.400 g/mol
Monoisotopic Mass1120.136 g/mol
CAS Registry Number864763-98-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C42H56O21S7/c43-1-8-15-22-29(64-22)36(50-8)58-16-9(2-44)52-38(31-23(16)66-31)60-18-11(4-46)54-40(33-25(18)68-33)62-20-13(6-48)56-42(35-27(20)70-35)63-21-14(7-49)55-41(34-28(21)69-34)61-19-12(5-47)53-39(32-26(19)67-32)59-17-10(3-45)51-37(57-15)30-24(17)65-30/h8-49H,1-7H2/t8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19+,20-,21-,22-,23+,24+,25-,26-,27+,28-,29-,30-,31+,32-,33+,34-,35-,36-,37+,38-,39+,40-,41+,42+/m0/s1
InChI KeyNAXKFVIRJICPAO-LHNWDKRHSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
495CeilingsBuilding & ConstructionNot Available
497FloorsBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
526LoudspeakersElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
585Canoes And KayaksMarine, shipping & aquacultureNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
620Card GamesRecreation & sports surfacesNot Available
621Chutes And SlidesRecreation & sports surfacesNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureLectinB4EH87Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))Predicted (SEA)13.6236
Click to view 3D structureType 1 fimbrin D-mannose specific adhesinP08191Escherichia coli K-12Predicted (SEA)17.9832
Cytidine deaminase structureClick to view 3D structureCytidine deaminaseP32320HumansPredicted (SEA)51.2248
Click to view 3D structureCytidine deaminaseP56389Mus musculusPredicted (SEA)57.9198
Click to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)243.59
Click to view 3D structureEndo-beta-N-acetylglucosaminidaseQ9ZB22Arthrobacter protophormiaePredicted (SEA)25.9238
Click to view 3D structureKiller cell lectin-like receptor subfamily B member 1AP27471Rattus norvegicusPredicted (SEA)41.1822
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)7118.77
Solute carrier family 28 member 3 structureClick to view 3D structureSolute carrier family 28 member 3Q9HAS3HumansPredicted (SEA)73.6454
Thymidine kinase, cytosolic structureClick to view 3D structureThymidine kinase, cytosolicP04183HumansPredicted (SEA)192.132
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)27.2472
Click to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)27.2472
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)7017.41
Click to view 3D structureAdenosine deaminaseP56658Bos taurusPredicted (SEA)228.955
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)5916.62
Click to view 3D structureLysosomal alpha-glucosidaseQ6P7A9Rattus norvegicusPredicted (SEA)39.6253
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)5898.48
Click to view 3D structureAdenosine receptor A3P28647Rattus norvegicusPredicted (SEA)4015.7
Protein O-GlcNAcase structureClick to view 3D structureProtein O-GlcNAcaseO60502HumansPredicted (SEA)1430.64
Click to view 3D structureAdenosine kinaseA5U4N0Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)Predicted (SEA)129.074
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)7354.88
Click to view 3D structureAdenosine kinaseP9WID4Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)Predicted (SEA)120.044
Galectin-3 structureClick to view 3D structureGalectin-3P17931HumansPredicted (SEA)890.128
Click to view 3D structureAlpha-amylaseQ7M328Sus scrofa domesticusPredicted (SEA)29.1156
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)7661.3
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available