Glyceofuran
Basic information
- CAS
78873-52-6- Standard SMILES
CC(C)(O)c1cc2cc3c(cc2o1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31- InChIKey
FLURXOFTUKXKQN-AZUAARDMSA-N- Molecular formula
- C20H18O6
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.11033829
Overview
Glyceofuran is a member of pterocarpans.
Names & identifiers
- Preferred name
- Glyceofuran
- IUPAC
- (1S,13S)-6-(2-hydroxypropan-2-yl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaene-13,17-diol
Names & synonyms
Glyceofuran78873-52-6CHEMBL5277239SCHEMBL29886196DTXSID20229357CHEBI:175543LMPK12070111(6aS)-2-(1-Hydroxy-1-methylethyl)-6H-benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6aalpha,9(11aalphaH)-diol(1S,13S)-6-(2-hydroxypropan-2-yl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaene-13,17-diol(6aS,11aS)-2-(2-Hydroxypropan-2-yl)-6H-[1]benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6a,9(11aH)-diol
Database identifiers
- CAS
78873-52-6- PubChem CID
- 187147
- DTXSID
DTXSID20229357- ChEMBL
CHEMBL5277239- ChEBI
CHEBI:175543- Nikkaji
- J530.191B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 567
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Pterocarpans [PK1207]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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