Hecogenone

Base Information

• Chemical Name: Hecogenone
• CAS No.: 2137-20-4
• Molecular Formula: C₂₇H₄₀O₄
• Molecular Weight: 428.612
• DSSTox Substance ID: DTXSID701318479
• Wikidata: Q105015424

Synonyms:Hecogenone;DTXSID701318479;(25R)-5a-Spirostane-3,12-dione;2137-20-4

Chemical Property of Hecogenone

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 428.29265975
• Heavy Atom Count: 31
• Complexity: 807

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(=O)C6)C)C)C)OC1
• Isomeric SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CCC(=O)C6)C)C)C)OC1

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