Nigrosporin B

Base Information

• Chemical Name: Nigrosporin B
• CAS No.: 200716-12-7
• Molecular Formula: C16H16O6
• Molecular Weight: 304.29464
• DSSTox Substance ID: DTXSID201045433
• Nikkaji Number: J901.007F
• Wikipedia: Nigrosporin_B
• Wikidata: Q15425777
• ChEMBL ID: CHEMBL1224809
• Mol file: 200716-12-7.mol

Synonyms:(6R,7S)-6,7,10-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione;nigrosporin B

Chemical Property of Nigrosporin B

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 304.09468823
• Heavy Atom Count: 22
• Complexity: 541

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC2=CC3=C(C(=O)C=C(C3=O)OC)C(=C2CC1O)O)O
• Isomeric SMILES: C[C@@]1(CC2=CC3=C(C(=O)C=C(C3=O)OC)C(=C2C[C@H]1O)O)O