Basic information
- CAS
61932-77-2- Standard SMILES
CC1(O)CC2(O)C=CC3=C(C(=O)c4cccc(O)c4C3=O)C2(O)C(=O)C1O- InChIKey
TVRZORMBTKRMAO-UHFFFAOYSA-N- Molecular formula
- C19H16O8
- Average molar mass
- 372.3 g/mol
- Monoisotopic mass
- 372.08451746
Names & identifiers
- Preferred name
- 2,3,4a,8,12b-Pentahydroxy-3-methyl-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione
- IUPAC
- 2,3,4a,8,12b-pentahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Names & synonyms
61932-77-2DTXSID209774822,3,4a,8,12b-Pentahydroxy-3-methyl-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trioneRefChem:1059221DTXCID40224304YoronomycinNSC368697SEN-136ABRN 43367702,3,4a,8,12b-pentahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trioneBenzanthraceae derivativeBenz(a)anthracene-1,7,12(2H)-trione, 3,4,4a,12b-tetrahydro-2,3,4a,8, 12b-pentahydroxy-3-methyl-
Show more names
orb3024422CHEMBL1967268NSC-368697TN10499NCI60_0033922,3,8,12b,4a-Pentahydroxy-3-methyl-2,3,4,12b,4a-pentahydrobenzo[2,1-a]anthracene-1,7,12-trioneBenz[a]anthracene-1,12(12b-H)-trione, 2,3,4,4a-tetra- hydro-2,3,4a,8,12a-pentahydroxy-3-methyl-
Database identifiers
- CAS
61932-77-2- PubChem CID
- 43854
- DTXSID
DTXSID20977482- ChEMBL
CHEMBL1967268- Nikkaji
- J20.215K
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 828
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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