Pterosterone

Base Information

• Chemical Name: Pterosterone
• CAS No.: 18089-44-6
• Molecular Formula: C27H44O7
• Molecular Weight: 480.63406
• DSSTox Substance ID: DTXSID20331641
• Nikkaji Number: J13.916E
• Wikidata: Q27108119
• Metabolomics Workbench ID: 68960
• ChEMBL ID: CHEMBL2087151
• Mol file: 18089-44-6.mol

Synonyms:Pterosterone;18089-44-6;CHEBI:8629;CHEMBL2087151;C08838;AC1L9BQN;CTK0H5764;(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5S)-2,3,5-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one;DTXSID20331641;Q27108119;(20R,22R,24S)-2beta,3beta,14alpha,20,22,24-Hexahydroxy-5beta-cholesta-7-ene-6-one;(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R,4S)-1,2,4-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Chemical Property of Pterosterone

Chemical Property:

• Vapor Pressure: 3.38E-22mmHg at 25°C
• Melting Point: 217 - 218 °C (H2O)
• Boiling Point: 692.7°C at 760 mmHg
• Flash Point: 386.7°C
• PSA: 138.45000
• Density: 1.27g/cm³
• LogP: 1.70990
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 480.30870374
• Heavy Atom Count: 34
• Complexity: 856

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(CC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)O
• Isomeric SMILES: CC(C)[C@H](C[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)O