8-Hydroxy-7-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-2-(8-hydroxy-6-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
Basic information
- CAS
61774-50-3- Standard SMILES
Cc1cc(O)c2c(c1)C(=O)C=C(C1=CC(=O)c3cc(C)c(-c4c(C)cc(O)c5c4C(=O)C=CC5=O)c(O)c3C1=O)C2=O- InChIKey
DFNNCHYNXVUZKI-UHFFFAOYSA-N- Molecular formula
- C33H20O9
- Average molar mass
- 560.5 g/mol
- Monoisotopic mass
- 560.11073221
Overview
8-Hydroxy-7-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-2-(8-hydroxy-6-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione has been reported in Euclea natalensis with data available.
Names & identifiers
- Preferred name
- 8-Hydroxy-7-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-2-(8-hydroxy-6-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
- IUPAC
- 8-hydroxy-7-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-2-(8-hydroxy-6-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
- English name
- 1',4,8''-Trihydroxy-2,3',6''-trimethyl-1,2':7',2''-ternaphthalene-1'',4'',5,5',8,8'-hexone
- Molecular formula
- C33H20O9
- Molecular weight
- 560.51
Names & synonyms
DTXSID103483498-hydroxy-7-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-2-(8-hydroxy-6-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione61774-50-3RefChem:312070DTXCID90299421[1,2':7',2''-Ternaphthalene]-1'',4'',5,5',8,8'-hexone, 1',4,8''-trihydroxy-2,3',6''-trimethyl-SCHEMBL31388713DFNNCHYNXVUZKI-UHFFFAOYSA-N1~4~,2~1~,3~8~-Trihydroxy-1~2~,2~3~,3~6~-trimethyl[1~1~,2~2~:2~7~,3~2~-ternaphthalene]-1~5~,1~8~,2~5~,2~8~,3~1~,3~4~-hexoneGalpinone1',4,8''-Trihydroxy-2,3',6''-trimethyl-1,2':7',2''-ternaphthalene-1'',4'',5,5',8,8'-hexone1',4,8''-Trihydroxy-2,3',6''-trimethyl[1,2':7',2''-ternaphthalene]-1'',4'',5,5',8,8'-hexone
Show more names
[1,2':7',2''-Ternaphthalene]-1'',4'',5,5',8,8'-hexone, 1',4,8''-trihydroxy-2,3',6''-trimethyl- (9CI)
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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