(3beta,4alpha)-3,23-Dihydroxyolean-12-en-28-oic acid (CED0043214)

Record Information
Version1.0
Creation Date2026-04-04 01:52:00 UTC
Update Date2026-05-20 22:34:37 UTC
Accession NumberCHEM070386
Identification
Common Name(3beta,4alpha)-3,23-Dihydroxyolean-12-en-28-oic acid
ClassSmall Molecule
Description
(3beta,4alpha)-3,23-Dihydroxyolean-12-en-28-oic acid belongs to the triterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C30H48O4 and an average molecular weight of 472.71 g/mol. The substance is found in or released from 13 recorded sources across several sectors. Within the Electrical & Electronic Equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, printed circuit boards, and one additional source. In the Textiles, leather & furnishings sector, it is found in carpets, rugs, and synthetic textiles. It is also identified in food packaging within the Food, food processing & cookware sector, and in medical devices within the Healthcare, pharmaceuticals & veterinary products sector. Additionally, the compound is present in lubricants used in both the Energy, oil & gas sector and the Industrial manufacturing & chemical processing sector, as well as one other sector. Recorded routes of exposure for this compound include inhalation, oral, and touch.
Contaminant Type
  • PFAS
  • Phytotoxin
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC30H48O4
Average Molecular Mass472.710 g/mol
Monoisotopic Mass472.355 g/mol
CAS Registry Number465-99-6
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
InChI IdentifierInChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChI KeyPGOYMURMZNDHNS-MYPRUECHSA-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 Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1647.0Log mg/kg[930:2900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
FUN14 domain-containing protein 1 structureClick to view 3D structureFUN14 domain-containing protein 1Q8IVP5HumansPredicted (SEA)0.233548
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)0.311397
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)0.389246
Tyrosine-protein phosphatase non-receptor type 2 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 2P17706HumansPredicted (SEA)0.311397
Tissue factor structureClick to view 3D structureTissue factorP13726HumansPredicted (SEA)0.389246
Bile acid receptor structureClick to view 3D structureBile acid receptorQ96RI1HumansPredicted (SEA)1.71268
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)0.700643
Click to view 3D structureProteaseQ9YQ12Human immunodeficiency virus 1Predicted (SEA)2.33548
Click to view 3D structureDNA polymerase betaP06766Rattus norvegicusPredicted (SEA)0.389246
Click to view 3D structureCMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1P54751Mus musculusPredicted (SEA)0.389246
Cholesteryl ester transfer protein structureClick to view 3D structureCholesteryl ester transfer proteinP11597HumansPredicted (SEA)1.63483
Transcription factor p65 structureClick to view 3D structureTranscription factor p65Q04206HumansPredicted (SEA)1.08989
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)9.73115
11-beta-hydroxysteroid dehydrogenase 1 structureClick to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P28845HumansPredicted (SEA)8.01847
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)2.88042
Click to view 3D structureGlycogen phosphorylase, muscle formP00489Oryctolagus cuniculusPredicted (SEA)0.389246
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)8.01847
Prostaglandin E synthase structureClick to view 3D structureProstaglandin E synthaseO14684HumansPredicted (SEA)7.16213
Click to view 3D structureHemagglutininB4URE7Influenza A virusPredicted (SEA)1.63483
Click to view 3D structureGlycogen [starch] synthase, liverP54840HumansPredicted (SEA)1.40129
Click to view 3D structureGlucose-6-phosphatase catalytic subunit 1P43428Rattus norvegicusPredicted (SEA)1.40129
Click to view 3D structureChitin synthase 1P08004Saccharomyces cerevisiae S288cPredicted (SEA)0.0778492
Click to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P50172Mus musculusPredicted (SEA)7.47353
Click to view 3D structureBasic phospholipase A2 1P00599Naja melanoleucaPredicted (SEA)0.934191
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available