Hypomycetin

Base Information

• Chemical Name: Hypomycetin
• CAS No.: 178885-61-5
• Molecular Formula: C26H26O10
• Molecular Weight: 498.47900
• DSSTox Substance ID: DTXSID201102358
• Nikkaji Number: J2.862.263E
• Wikidata: Q77424394,Q105260675
• Metabolomics Workbench ID: 110573
• Mol file: 178885-61-5.mol

Synonyms:Hypomycetin;DTXSID201102358;(4aS,5S,12aS)-2-Acetyl-4a,12a-dihydro-3,4a,5,10,11,12a-hexahydroxy-8-methoxy-6-(3-methyl-2-buten-1-yl)-1,12(4H,5H)-naphthacenedione;178885-61-5

Chemical Property of Hypomycetin

Chemical Property:

• PSA: 181.82000
• LogP: 1.83410
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 498.15259702
• Heavy Atom Count: 36
• Complexity: 1030

Purity/Quality:

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Useful:

• Canonical SMILES: CC(=CCC1=C2C=C(C=C(C2=C(C3=C1C(C4(CC(=O)C(=C(C4(C3=O)O)O)C(=O)C)O)O)O)O)OC)C
• Isomeric SMILES: CC(=CCC1=C2C=C(C=C(C2=C(C3=C1[C@@H]([C@]4(CC(=O)C(=C([C@]4(C3=O)O)O)C(=O)C)O)O)O)O)OC)C

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