Paraminabeolide D

Base Information

• Chemical Name: Paraminabeolide D
• CAS No.: 1289420-25-2
• Molecular Formula: C₂₈H₄₀O₄
• Molecular Weight: 440.623
• DSSTox Substance ID: DTXSID401130070
• Nikkaji Number: J2.961.446F
• Wikidata: Q27136027
• Metabolomics Workbench ID: 124594
• ChEMBL ID: CHEMBL1782225

Synonyms:Paraminabeolide D;CHEBI:67563;CHEMBL1782225;DTXSID401130070;Q27136027;(22S,23R,24S,25R)-22-Hydroxy-23,26-epoxyergosta-1,4-diene-3,26-dione;1289420-25-2;Ergosta-1,4-dien-26-oic acid, 22,23-dihydroxy-3-oxo-, gamma-lactone, (22S,23R,24S,25R)-

Chemical Property of Paraminabeolide D

Chemical Property:

• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 440.29265975
• Heavy Atom Count: 32
• Complexity: 873

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(=O)OC1C(C(C)C2CCC3C2(CCC4C3CCC5=CC(=O)C=CC45C)C)O)C
• Isomeric SMILES: C[C@H]1[C@H](C(=O)O[C@H]1[C@H]([C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)C)O)C

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