(8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol

Base Information

• Chemical Name: (8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
• CAS No.: 3646-30-8
• Molecular Formula: C18H28O
• Molecular Weight: 260.42
• European Community (EC) Number: 609-249-5
• NSC Number: 75057
• DSSTox Substance ID: DTXSID401314030
• Mol file: 3646-30-8.mol

Synonyms:3646-30-8;(8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol;NSC75057;4-estren-17beta-ol;Estr-4-en-17ss-ol;SCHEMBL9199648;DTXSID401314030;Estr-4-en-17-ol, (17beta)-;NSC-75057

Chemical Property of (8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol

Chemical Property:

• Vapor Pressure: 1.78E-07mmHg at 25°C
• Melting Point: 98.5-100℃
• Refractive Index: 1.555
• Boiling Point: 383.92 °C at 760 mmHg
• Flash Point: 156.229 °C
• PSA: 20.23000
• Density: 1.067 g/cm³
• LogP: 4.31010
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 260.214015512
• Heavy Atom Count: 19
• Complexity: 399

Purity/Quality:

99.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=CCCCC34
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CCCC[C@H]34