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

Base Information

• Chemical Name: (3S,5S,8S,9S,10S,13R,14S,16S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
• CAS No.: 7642-97-9
• Molecular Formula: C20H34 O2
• Molecular Weight: 306.49
• NSC Number: 51172
• DSSTox Substance ID: DTXSID70997812
• Wikidata: Q82990112

Synonyms:7642-97-9;NSC51172;3-Methoxyandrostan-16-ol;DTXSID70997812;NSC-51172

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

Chemical Property:

• Vapor Pressure: 4.86E-08mmHg at 25°C
• Boiling Point: 399.4°C at 760 mmHg
• Flash Point: 158.2°C
• PSA: 29.46000
• Density: 1.05g/cm³
• LogP: 4.40500
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 306.255880323
• Heavy Atom Count: 22
• Complexity: 435

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

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