5beta-Estrane

Base Information

• Chemical Name: 5beta-Estrane
• CAS No.: 517-12-4
• Molecular Formula: C18H30
• DSSTox Substance ID: DTXSID70425887
• Nikkaji Number: J166.119A
• Wikidata: Q27109335
• Metabolomics Workbench ID: 53791
• Mol file: 517-12-4.mol

Synonyms:5beta-estrane;5beta-oestrane;5beta-Oestran;517-12-4;CHEBI:20670;DTXSID70425887;Q27109335

Chemical Property of 5beta-Estrane

Chemical Property:

• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 246.234750957
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCCC1C3CCC4CCCCC4C3CC2
• Isomeric SMILES: C[C@@]12CCC[C@H]1[C@@H]3CC[C@@H]4CCCC[C@@H]4[C@H]3CC2