[(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-26-[(e)-benzhydryloxyiminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate (CED0309110)

Record Information
Version1.0
Creation Date2026-09-01 06:44:45 UTC
Update Date2026-09-01 06:44:45 UTC
Accession NumberCHEM354786
Identification
Common Name[(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-26-[(e)-benzhydryloxyiminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
ClassSmall Molecule
Description
[(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-26-[(e)-benzhydryloxyiminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate is a chemical compound with the formula C51H58N2O13. With an average molecular weight of 907.00 g/mol, [(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-26-[(e)-benzhydryloxyiminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate is a heavy molecule. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically microphones.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC51H58N2O13
Average Molecular MassNot Available
Monoisotopic Mass906.394 g/mol
CAS Registry Number38330-15-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NOC(C5=CC=CC=C5)C6=CC=CC=C6)C
InChI IdentifierInChI=1S/C51H58N2O13/c1-26-17-16-18-27(2)50(61)53-40-35(25-52-66-48(33-19-12-10-13-20-33)34-21-14-11-15-22-34)44(58)37-38(45(40)59)43(57)31(6)47-39(37)49(60)51(8,65-47)63-24-23-36(62-9)28(3)46(64-32(7)54)30(5)42(56)29(4)41(26)55/h10-26,28-30,36,41-42,46,48,55-59H,1-9H3,(H,53,61)/b17-16+,24-23+,27-18-,52-25+/t26-,28+,29+,30+,36-,41-,42+,46+,51-/m0/s1
InChI KeyZGOGYVJXKPGNCZ-SDDCJGPJSA-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
528MicrophonesElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
DNA-directed RNA polymerase subunit beta structureClick to view 3D structureDNA-directed RNA polymerase subunit betaP9WGY9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)0.0778492
Click to view 3D structureDNA polymerase betaQ8K409Mus musculusPredicted (SEA)0.155698
Click to view 3D structureGag-Pol polyproteinP03359Woolly monkey sarcoma virusPredicted (SEA)0.155698
Click to view 3D structureDNA-directed RNA polymerase subunit betaB7UPE2Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)0.155698
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansPredicted (SEA)3.97031
Solute carrier organic anion transporter family member 1B3 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B3Q9NPD5HumansPredicted (SEA)2.72472
Click to view 3D structureSolute carrier organic anion transporter family member 1A4O35913Rattus norvegicusPredicted (SEA)0.0778492
NH(3)-dependent NAD(+) synthetase structureClick to view 3D structureNH(3)-dependent NAD(+) synthetaseP08164Bacillus subtilis (strain 168)Predicted (SEA)0.311397
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)88.2032
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansPredicted (SEA)94.8982
Caspase-1 structureClick to view 3D structureCaspase-1P29466HumansPredicted (SEA)169.011
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)153.129
Click to view 3D structureBile salt export pumpO70127Rattus norvegicusPredicted (SEA)1.63483
Click to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)53.171
Click to view 3D structureSolute carrier organic anion transporter family member 2B1O94956HumansPredicted (SEA)86.4126
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)41.1822
Click to view 3D structureSolute carrier organic anion transporter family member 1A1P46720Rattus norvegicusPredicted (SEA)20.1629
Click to view 3D structureEndoplasminP41148Canis lupus familiarisPredicted (SEA)26.6244
Enoyl-[acyl-carrier-protein] reductase [NADH] structureClick to view 3D structureEnoyl-[acyl-carrier-protein] reductase [NADH]P9WGR1Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)3.58106
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)801.613
Heat shock protein HSP 90-beta structureClick to view 3D structureHeat shock protein HSP 90-betaP08238HumansPredicted (SEA)77.3821
V-type proton ATPase subunit S1 structureClick to view 3D structureV-type proton ATPase subunit S1Q15904HumansPredicted (SEA)0.389246
Click to view 3D structureDNA topoisomerase 2P15348Drosophila melanogasterPredicted (SEA)6.38364
Receptor tyrosine-protein kinase erbB-2 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-2P04626HumansPredicted (SEA)6258.77
Click to view 3D structureElongation factor 2P58252Mus musculusPredicted (SEA)23.9776
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available