3-12-Formyl-digoxigenin

Base Information

• Chemical Name: 3-12-Formyl-digoxigenin
• CAS No.: 1256-24-2
• Molecular Formula: C25H34 O7
• Molecular Weight: 446.5333
• DSSTox Substance ID: DTXSID40925182
• Mol file: 1256-24-2.mol

Synonyms:3-12-Formyl-digoxigenin;3-beta,12-beta,14-Trihydroxy-5-beta-card-20(22)-enolide 3,12-diformate;5-beta-CARD-20(22)-ENOLIDE, 3-beta,12-beta,14-TRIHYDROXY-, 3,12-DIFORMATE;Card-20(22)-enolide, 3,12-bis(formyloxy)-14-hydroxy-, (3-beta,5-beta,12-beta)-;1256-24-2;DTXSID40925182;LS-52513;3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide

Chemical Property of 3-12-Formyl-digoxigenin

Chemical Property:

• Vapor Pressure: 1.86E-16mmHg at 25°C
• Boiling Point: 591.5°C at 760 mmHg
• Flash Point: 197.4°C
• Density: 1.27g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 446.23045342
• Heavy Atom Count: 32
• Complexity: 838

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)OC=O)OC=O
• Isomeric SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC=O)OC=O