Grandisin
Basic information
- CAS
53250-50-3- Standard SMILES
COc1cc([C@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1OC- InChIKey
ZPINJJOPURFFNV-WJWAULOUSA-N- Molecular formula
- C24H32O7
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.21480336
Overview
Grandisin is a lignan.
Names & identifiers
- Preferred name
- Grandisin
- IUPAC
- (2S,3S,4S,5S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
Names & synonyms
Grandisin(2S,3S,4S,5S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane53250-50-3DTXSID40967805(2S,3S,4S,5S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuranRefChem:144305DTXCID401395400(2R,3R,4R,5R)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolaneC10622AC1L9DK8CHEBI:5535ZINC04098808
Show more names
DB-246927Q27106797
Database identifiers
- CAS
53250-50-3- PubChem CID
- 442876
- DTXSID
DTXSID40967805- ChEMBL
CHEMBL459404- ChEBI
CHEBI:5535- Nikkaji
- J792.043A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 472
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Related reactions
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Compound notes
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