Austocystin C

Base Information

• Chemical Name: Austocystin C
• CAS No.: 55256-55-8
• Molecular Formula: C23H22 O7
• Molecular Weight: 410.42
• DSSTox Substance ID: DTXSID50203766
• Nikkaji Number: J163.744D
• Wikidata: Q83077185
• Metabolomics Workbench ID: 144054
• Mol file: 55256-55-8.mol

Synonyms:Austocystin C;CCRIS 2007;55256-55-8;BRN 1274590;5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-6-hydroxy-9-(3-hydroxy-3-methylbutyl)-4-methoxy-, (3aS-cis)-;DTXSID50203766;LS-70772

Chemical Property of Austocystin C

Chemical Property:

• PSA: 98.36000
• LogP: 3.70990
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 410.13655304
• Heavy Atom Count: 30
• Complexity: 706

Purity/Quality:

AUSTOCYSTIN C 95.00% ^*data from reagent 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)OC)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)OC)O