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Angeolide

CAT: 0013-GTR19229461-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229461-01Size:1 mg
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Description
Angeolide (CAS 81957-73-5) is a small molecule compound utilized in life science research. It has been investigated in vitro for its biological activity and serves as a useful tool in pharmacological and biochemical studies.
CAS Number
81957-73-5
Smiles
CCC\C=C1/OC (=O) C2=C[C@H]3CC[C@@]12[C@]1 (OC (=O) C2=C1CCC=C2) [C@H]3CCC
Molecular Formula
C24H28O4
Molecular Weight
380.484
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Angeolide

Angeolide is a member of 2-benzofurans.

CAS Number81957-73-5
PubChem CID54607915
IUPAC Name(1S,2E,7R,8S,9S)-2-butylidene-8-propylspiro[3-oxatricyclo[5.2.2.01,5]undec-5-ene-9,3'-4,5-dihydro-2-benzofuran]-1',4-dione
Molecular FormulaC24H28O4
Molecular Weight380.5
XLogP4.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity873
SMILES
CCC/C=C/1\[C@]23CC[C@H](C=C2C(=O)O1)[C@@H]([C@]34C5=C(C=CCC5)C(=O)O4)CCC
InChI
InChI=1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11+/t15-,17+,23+,24+/m1/s1
InChIKey
DZMFTLLDUYBHLI-FSEWZPIJSA-N
Chemical Structure
2D Structure
2D structure of Angeolide
CAS: 81957-73-5
CID: 54607915
Formula: C24H28O4
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass380.19875937
Monoisotopic Mass380.19875937
Topological Polar Surface Area52.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity873
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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