(3S,5S,8S,9S,10S,13R,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-ol

Base Information

• Chemical Name: (3S,5S,8S,9S,10S,13R,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-ol
• CAS No.: 4401-92-7
• Molecular Formula: C21H36 O2
• Molecular Weight: 320.5093
• NSC Number: 85449

Synonyms:NSC85449;NSC-85449;4401-92-7

Chemical Property of (3S,5S,8S,9S,10S,13R,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-ol

Chemical Property:

• Vapor Pressure: 3.24E-08mmHg at 25°C
• Boiling Point: 404.2°Cat760mmHg
• Flash Point: 157°C
• Density: 1.04g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 320.271530387
• Heavy Atom Count: 23
• Complexity: 477

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CC(C2)(C)O)CCC4C3(CCC(C4)OC)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@](C2)(C)O)CC[C@@H]4[C@@]3(CC[C@@H](C4)OC)C

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