(3-acetyloxy-2-hydroxypropyl) (1R,2S,4aS,4bS,10aS)-2,4a,8,8,10a-pentamethyl-2,3,4,4b,5,6,7,10-octahydro-1H-phenanthrene-1-carboxylate

Base Information

• Chemical Name: (3-acetyloxy-2-hydroxypropyl) (1R,2S,4aS,4bS,10aS)-2,4a,8,8,10a-pentamethyl-2,3,4,4b,5,6,7,10-octahydro-1H-phenanthrene-1-carboxylate
• CAS No.: 115713-02-5
• Molecular Formula: C25H40 O5
• Molecular Weight: 420.58
• DSSTox Substance ID: DTXSID90921795
• Wikidata: Q82894864
• Metabolomics Workbench ID: 170328
• Mol file: 115713-02-5.mol

Synonyms:3-(Acetyloxy)-2-hydroxypropyl 2,4a,8,8,10a-pentamethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate;DTXSID90921795;(3-acetyloxy-2-hydroxypropyl) (1R,2S,4aS,4bS,10aS)-2,4a,8,8,10a-pentamethyl-2,3,4,4b,5,6,7,10-octahydro-1H-phenanthrene-1-carboxylate

Chemical Property of (3-acetyloxy-2-hydroxypropyl) (1R,2S,4aS,4bS,10aS)-2,4a,8,8,10a-pentamethyl-2,3,4,4b,5,6,7,10-octahydro-1H-phenanthrene-1-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 498.7°Cat760mmHg
• Flash Point: 156.8°C
• PSA: 72.83000
• Density: 1.1g/cm³
• LogP: 4.66870
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 420.28757437
• Heavy Atom Count: 30
• Complexity: 710

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C3CCCC(C3=CCC2(C1C(=O)OCC(COC(=O)C)O)C)(C)C)C
• Isomeric SMILES: C[C@H]1CC[C@]2([C@@H]3CCCC(C3=CC[C@]2([C@@H]1C(=O)OCC(COC(=O)C)O)C)(C)C)C