Einecs 262-719-8

Base Information

• Chemical Name: Einecs 262-719-8
• CAS No.: 61339-39-7
• Molecular Formula: C26H32 O5
• Molecular Weight: 457.53602
• Mol file: 61339-39-7.mol

Synonyms:EINECS 262-719-8;20,21-Dihydroxy-16alpha-methylpregna-1,4,9(11),17(20)-tetraen-3-one 20,21-di(acetate)

Chemical Property of Einecs 262-719-8

Chemical Property:

• PSA: 132.13000
• LogP: 3.11800
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 458.23045342
• Heavy Atom Count: 33
• Complexity: 977

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(CC(=O)O)(C(CC(=O)O)O)O)C)C
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2(C1C(CC(=O)O)(C(CC(=O)O)O)O)C)C