7-Dehydrocholesterol-3-sulfate ester

Base Information

• Chemical Name: 7-Dehydrocholesterol-3-sulfate ester
• CAS No.: 10529-44-9
• Molecular Formula: C27H44 O4 S
• Molecular Weight: 464.70086
• DSSTox Substance ID: DTXSID70909410
• Wikidata: Q76279753
• Metabolomics Workbench ID: 35547
• Mol file: 10529-44-9.mol

Synonyms:7-dehydrocholesterol-3-sulfate ester;7-DH-3-SE

Chemical Property of 7-Dehydrocholesterol-3-sulfate ester

Chemical Property:

• PSA: 71.98000
• Density: 1.13g/cm³
• LogP: 8.21670
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 464.29603105
• Heavy Atom Count: 32
• Complexity: 867

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C

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