Robustaol A
Basic information
- CAS
78411-76-4- Standard SMILES
COc1c(C)c(O)c(Cc2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c(O)c1C(=O)C(C)C- InChIKey
VQIUVVRPDIFIPV-UHFFFAOYSA-N- Molecular formula
- C25H30O9
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.18898253
Overview
Robustaol A is a diarylmethane.
Names & identifiers
- Preferred name
- Robustaol A
- IUPAC
- 3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde
Names & synonyms
Robustaol A78411-76-43-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehydeC099683-{[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl}-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehydeAC1L9D1KCHEBI:8882SCHEMBL30712201DTXSID80331869Q27108169
Database identifiers
- CAS
78411-76-4- PubChem CID
- 442541
- DTXSID
DTXSID80331869- ChEBI
CHEBI:8882- Nikkaji
- J2.771.411K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 723
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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