Basic information
- CAS
56257-16-0- Standard SMILES
CC1=CC(=O)CC2(O)C3=C(C=CC12O)C(=O)c1c(O)cccc1C3=O- InChIKey
SFKKPGUZOCFOBH-UHFFFAOYSA-N- Molecular formula
- C19H14O6
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 338.07903816
Overview
Beta-228 Y is an angucycline.
Names & identifiers
- Preferred name
- SS-228 Y
- IUPAC
- 4a,8,12b-trihydroxy-4-methyl-1H-benzo[a]anthracene-2,7,12-trione
- English name
- SS-228Y
- Molecular formula
- C19H14O6
- Molecular weight
- 338.31
Names & synonyms
SS-228 Y56257-16-04a,8,12b-trihydroxy-4-methyl-1H-benzo[a]anthracene-2,7,12-trioneSS 228 Y4a,12b-Dihydro-4a,8,12b-trihydroxy-4-methylbenz(a)anthracene-2,7,12(lH)-trione4a,8,12b-trihydroxy-4-methyl-1H-benzo(a)anthracene-2,7,12-trioneRefChem:185220Antibiotic SS-228 YBRN 2017066beta-228 YDTXSID20971687CHEBI:202265
Show more names
SS-228YAntibiotic SS228Y4a,12b-Dihydro-4a,8,12b-trihydroxy-4-methylbenz[a]anthracene-2,7,12(1H)-trione4-Methyl-4a,8,12b-trihydroxy-4a,12b-dihydrobenzo[a]anthracene-2,7,12(1H)-trioneBenz[a]anthracene-2,7,12(1H)-trione, 4a,12b-dihydro-4a,8,12b-trihydroxy-4-methyl-
Benz(a)anthracene-2,7,12(1H)-trione, 4a,12b-dihydro-4-methyl-4a,8,12b-trihydroxy-Q441958554a,8,12b-Trihydroxy-4-methyl-4a,12b-dihydrotetraphene-2,7,12(1H)-trione
Database identifiers
- CAS
56257-16-0
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 803
Chemistry & industry
Suppliers1 total
BOC Sciences16314854226; +8616314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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