Angelicolide
Basic information
- CAS
90826-58-7- Standard SMILES
CCCC1C(CCC)C2(OC(=O)C3=C2CCC=C3)C12OC(=O)C1=C2CCC=C1- InChIKey
LSDFCPDLBLFHAT-UHFFFAOYSA-N- Molecular formula
- C24H28O4
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.19875937
Overview
Angelicolide is a member of 2-benzofurans.
Names & identifiers
- Preferred name
- Angelicolide
- English name
- Angelicolide
- Molecular formula
- C24H28O4
- Molecular weight
- 380.48
Names & synonyms
Angelicolide90826-58-7NSC 382182Dispiro(isobenzofuran-1(3H),1'-cyclobutane-2',1''(3''H)-isobenzofuran)-3,3''-dione, 6,6'',7,7''-tetrahydro-3',4'-dipropyl-3',4'-dipropyl-6,6'',7,7''-tetrahydro-3H,3''H-dispiro[2-benzofuran-1,1'-cyclobutane-2',1''-[2]benzofuran]-3,3''-dione3',4'-dipropyl-6,6'',7,7''-tetrahydro-3H,3''H-dispiro(2-benzofuran-1,1'-cyclobutane-2',1''-(2)benzofuran)-3,3''-dioneDispiro[isobenzofuran-1(3H),1'-cyclobutane-2',1''(3''H)-isobenzofuran]-3,3''-dione, 6,6'',7,7''-tetrahydro-3',4'-dipropyl-RefChem:112668dipropyldispiro[[?]]dioneSCHEMBL11987228CHEBI:173263Z,Z'-3.3'8.8'-diligustilide
Show more names
E,E'-3,3':8,8'-DiligustilideDispiro[isobenzofuran-1(3H),1'-cyclobutane-2',1''(3''H)-isobenzofuran]-3,3''-dione, 6,6'',7,7''-tetrahydro-3',4'-dipropyl-, (1R,1''R,3'R,4'R)-rel-
Z,Z-3,3'-8'8'-diligudtilideZ,Z'-3,3',8,8'-diligustilideZ,Z'-3.3',8.8'-diligustilide
Database identifiers
- CAS
90826-58-7- PubChem CID
- 494308
- ChEBI
CHEBI:173263
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 801
Experimental & physicochemical properties
Melting Point157 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 663.4 · 663.4±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesAngelicolide (NSC 382182) is a Phenols product that can be isolated from the herbs of Schisandra propinqua[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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