7-(Acetyloxy)-4,14,16,20-tetrahydroxy-3-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-15-yl 2-hydroxy-2-methylbutanoate

Base Information

• Chemical Name: 7-(Acetyloxy)-4,14,16,20-tetrahydroxy-3-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-15-yl 2-hydroxy-2-methylbutanoate
• CAS No.: 560-48-5
• Molecular Formula: C39H61 N O12
• Molecular Weight: 735.9
• DSSTox Substance ID: DTXSID40971386
• Wikidata: Q105152705
• Mol file: 560-48-5.mol

Synonyms:SCHEMBL14052394;DTXSID40971386;LS-52821;7-(Acetyloxy)-4,14,16,20-tetrahydroxy-3-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-15-yl 2-hydroxy-2-methylbutanoate

Chemical Property of 7-(Acetyloxy)-4,14,16,20-tetrahydroxy-3-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-15-yl 2-hydroxy-2-methylbutanoate

Chemical Property:

• Vapor Pressure: 2.65E-28mmHg at 25°C
• Boiling Point: 782.7°Cat760mmHg
• Flash Point: 427.2°C
• PSA: 192.52000
• Density: 1.34g/cm³
• LogP: 2.00350
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 10
• Exact Mass: 735.41937638
• Heavy Atom Count: 52
• Complexity: 1480

Purity/Quality:

GERMITRINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)OC1CCC2(C3C1(OC24CC5C6CN7CC(CCC7C(C6C(C(C5(C4C(C3)OC(=O)C)O)OC(=O)C(C)(CC)O)O)(C)O)C)O)C
• Isomeric SMILES: CCC(C)C(=O)O[C@H]1CC[C@]2(C3[C@@]1(O[C@@]24CC5C6CN7C[C@H](CC[C@H]7[C@@](C6[C@H]([C@@H]([C@]5(C4[C@@H](C3)OC(=O)C)O)OC(=O)C(C)(CC)O)O)(C)O)C)O)C