Austocystin E

Base Information

• Chemical Name: Austocystin E
• CAS No.: 55256-54-7
• Molecular Formula: C23H22 O8
• Molecular Weight: 426.42
• DSSTox Substance ID: DTXSID80970590
• Wikidata: Q82953816
• Mol file: 55256-54-7.mol

Synonyms:Austocystin E;55256-54-7;5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-3a,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-4-methoxy-, (3aR-cis)-;DTXSID80970590;3a,6-Dihydroxy-9-(3-hydroxy-3-methylbutyl)-4-methoxy-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one

Chemical Property of Austocystin E

Chemical Property:

• PSA: 118.59000
• LogP: 2.81390
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 426.13146766
• Heavy Atom Count: 31
• Complexity: 752

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)OC5C4(C=CO5)O)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@@]4(C=CO5)O)OC)O