Basic information
- CAS
876293-04-8- Standard SMILES
CO[C@@H](CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1- InChIKey
KGQIYLSVVQCRJA-INIZCTEOSA-N- Molecular formula
- C20H24O6
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.15728848
Overview
5-O-Methylhirsutanonol has been reported in Alnus japonica with data available.
Names & identifiers
- Preferred name
- 5-O-Methylhirsutanonol
- IUPAC
- (5S)-1,7-bis(3,4-dihydroxyphenyl)-5-methoxyheptan-3-one
Names & synonyms
5-O-Methylhirsutanonol(5S)-1,7-bis(3,4-dihydroxyphenyl)-5-methoxyheptan-3-oneDTXSID60873737876293-04-8RefChem:103312DTXCID901012025CHEMBL5275019SCHEMBL14790110SCHEMBL29388330
Database identifiers
- CAS
876293-04-8- PubChem CID
- 11660490
- DTXSID
DTXSID60873737- ChEMBL
CHEMBL5275019- Nikkaji
- J2.250.658G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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