Ergosta-2,16,24-trien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-14,22-dihydroxy-1-oxo-, delta-lactone, (5beta,6beta,15alpha,22R)-

Base Information

• Chemical Name: Ergosta-2,16,24-trien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-14,22-dihydroxy-1-oxo-, delta-lactone, (5beta,6beta,15alpha,22R)-
• CAS No.: 146713-98-6
• Molecular Formula: C30H38 O7
• DSSTox Substance ID: DTXSID201108251
• Nikkaji Number: J500.250H
• Wikidata: Q105015180
• Metabolomics Workbench ID: 200394
• ChEMBL ID: CHEMBL3961906

Synonyms:CHEMBL3961906;DTXSID201108251;146713-98-6;Ergosta-2,16,24-trien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-14,22-dihydroxy-1-oxo-, delta-lactone, (5beta,6beta,15alpha,22R)-

Chemical Property of Ergosta-2,16,24-trien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-14,22-dihydroxy-1-oxo-, delta-lactone, (5beta,6beta,15alpha,22R)-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 510.26175355
• Heavy Atom Count: 37
• Complexity: 1200

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)OC(C1)C(C)C2=CC(C3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6)C)O5)C)O)OC(=O)C)C
• Isomeric SMILES: CC1=C(C(=O)O[C@H](C1)[C@@H](C)C2=C[C@@H]([C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=CC6)C)O5)C)O)OC(=O)C)C

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