(+)-Galbacin
Basic information
- CAS
61891-31-4- Standard SMILES
C[C@@H]1[C@@H](C)[C@H](c2ccc3c(c2)OCO3)O[C@H]1c1ccc2c(c1)OCO2- InChIKey
QFUXQRHAJWXPGP-IIBDXVJDSA-N- Molecular formula
- C20H20O5
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.13107373
Overview
(+)-Galbacin is a lignan.
Names & identifiers
- Preferred name
- (+)-Galbacin
- IUPAC
- 5-[(2R,3R,4R,5R)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
- English name
- 5-[(2R,3R,4R,5R)-5-benzo[1,3]dioxol-5-yl-3,4-dimethyl-oxolan-2-yl]benz o[1,3]dioxole
- Molecular formula
- C20H20O5
- Molecular weight
- 340.37
Names & synonyms
(+)-Galbacin61891-31-4C10616AC1L9DJZCHEBI:245-[(2R,3R,4R,5R)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxoleDTXSID80331985DB-219272Q271051975,5'-[(2R,3R,4R,5R)-3,4-Dimethyloxolane-2,5-diyl]bis(2H-1,3-benzodioxole)5-[(2R,3r,4r,5r)-5-benzo[1,3]dioxol-5-yl-3,4-dimethyl-oxolan-2-yl]benzo[1,3]dioxole5,5'-[(2R)-3α,4β-Dimethyltetrahydrofuran-2β,5α-diyl]bis(1,3-benzodioxole)
Show more names
5,5'-[(2R)-Tetrahydro-3α,4β-dimethylfuran-2β,5α-diyl]bis(1,3-benzodioxole)1,3-Benzodioxole, 5,5'-[(2R,3R,4R,5R)-tetrahydro-3,4-dimethyl-2,5-furandiyl]bis-5-[(2R,3R,4R,5R)-5-benzo[1,3]dioxol-5-yl-3,4-dimethyl-oxolan-2-yl]benz o[1,3]dioxole
Database identifiers
- CAS
61891-31-4- PubChem CID
- 442873
- DTXSID
DTXSID80331985- ChEBI
CHEBI:24- Nikkaji
- J18.205B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Chemistry & industry
Additional notes
DefinitionChEBI: (+)-Galbacin is a lignan.
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Related reactions
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Compound notes
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