Austocystin B

Base Information

• Chemical Name: Austocystin B
• CAS No.: 55256-57-0
• Molecular Formula: C22H20 O7
• Molecular Weight: 396.39
• DSSTox Substance ID: DTXSID70203768
• Nikkaji Number: J31.885J
• Wikidata: Q83077188
• Mol file: 55256-57-0.mol

Synonyms:Austocystin B;CCRIS 2006;55256-57-0;BRN 5168709;5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-4,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-, (3as-cis)-;DTXSID70203768;LS-70769

Chemical Property of Austocystin B

Chemical Property:

• PSA: 109.36000
• LogP: 3.40690
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 396.12090297
• Heavy Atom Count: 29
• Complexity: 691

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)OC5C4C=CO5)O)O
• Isomeric SMILES: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)O[C@@H]5[C@H]4C=CO5)O)O