Mecigestone

Base Information

• Chemical Name: Mecigestone
• CAS No.: 58212-84-3
• Molecular Formula: C₂₆H₃₈O₂
• Molecular Weight: 382.587
• UNII: N3UWJ2K7NF
• DSSTox Substance ID: DTXSID30973778
• Nikkaji Number: J418.717B
• Wikipedia: Mecigestone
• Wikidata: Q28151361
• Mol file: 58212-84-3.mol

Synonyms:6alpha-methyl,16alpha,17alpha-cyclohexanoprogesterone;pentarane B

Chemical Property of Mecigestone

Chemical Property:

• Vapor Pressure: 3.11E-10mmHg at 25°C
• Boiling Point: 502.7°Cat760mmHg
• Flash Point: 185.8°C
• PSA: 34.14000
• Density: 1.08g/cm³
• LogP: 6.13980
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 382.287180451
• Heavy Atom Count: 28
• Complexity: 750

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(CCC3(C2CC4C3(CCCC4)C(=O)C)C)C5(C1=CC(=O)CC5)C
• Isomeric SMILES: C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2C[C@@H]4[C@]3(CCCC4)C(=O)C)C)[C@@]5(C1=CC(=O)CC5)C

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