(4R)-N-(4-aminophenyl)sulfonyl-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide

Base Information

• Chemical Name: (4R)-N-(4-aminophenyl)sulfonyl-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
• CAS No.: 5407-24-9
• Molecular Formula: C30H46N2O5S
• Molecular Weight: 546.7616
• NSC Number: 5499
• DSSTox Substance ID: DTXSID801145130
• Mol file: 5407-24-9.mol

Synonyms:5407-24-9;NSC5499;DTXSID801145130;NSC-5499;Cholan-24-amide, N-[(4-aminophenyl)sulfonyl]-3,12-dihydroxy-, (3alpha,5beta,12alpha)-

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

Chemical Property:

• Density: 1.221g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 546.31274375
• Heavy Atom Count: 38
• Complexity: 976

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)N)C2CCC3C2(C(CC4C3CCC5C4(CCC(C5)O)C)O)C
• Isomeric SMILES: C[C@H](CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)N)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C