CID 23712772

Base Information

• Chemical Name: CID 23712772
• CAS No.: 1000403-03-1
• Molecular Formula: C25H43NaO6S
• Molecular Weight: 494.7
• Nikkaji Number: J3.309.624K
• Pharos Ligand ID: DQZZBN3TPMHS
• Mol file: 1000403-03-1.mol

Synonyms:6-ethyl-24-norcholane-3,7,23-triol-23 sulfate;6alpha-ethyl-24-nor-5beta-cholane-3alpha,7alpha,23-triol-23 sulfate sodium salt;6alpha-ethyl-3alpha,7alpha,23-trihydroxy-24-nor-5beta-cholan-23-sulfate sodium salt;INT-767

Chemical Property of CID 23712772

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 494.26780454
• Heavy Atom Count: 33
• Complexity: 786

Purity/Quality:

97% ^*data from raw suppliers

INT-767 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCOS(=O)(=O)[O-])C)C)O.[Na+]
• Isomeric SMILES: CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCOS(=O)(=O)[O-])C)C)O.[Na+]