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Cyclocalopin A

CAT: 0013-GTR19228908-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228908-01Size:1 mg
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Description
Cyclocalopin A is a natural product used as a biochemical tool in life science research. It is applied in both in vitro and in vivo studies to investigate biological pathways and cellular processes, particularly within areas such as immunology and cancer research.
CAS Number
486430-94-8
Smiles
C[C@]1 (O) [C@@]2 ([C@@]3 ([C@] (O1) (C (=O) OC[C@H]3C) [H]) [H]) [C@H] (O) C (=O) C (C) =CC2
Molecular Formula
C15H20O6
Molecular Weight
296.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclocalopin A

Cyclocalopin A is a furopyran.

CAS Number486430-94-8
PubChem CID10913461
IUPAC Name(2R,3S,3aR,4S,6'S,7aS)-2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
Molecular FormulaC15H20O6
Molecular Weight296.31
XLogP0.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity540
SMILES
C[C@@H]1COC(=O)[C@@H]2[C@H]1[C@]3(CC=C(C(=O)[C@H]3O)C)[C@](O2)(C)O
InChI
InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3/t8-,9+,11+,12-,14-,15+/m1/s1
InChIKey
OGOHSCJKRSLFLO-UOMAJYNRSA-N
Chemical Structure
2D Structure
2D structure of Cyclocalopin A
CAS: 486430-94-8
CID: 10913461
Formula: C15H20O6
MW: 296.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.31
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass296.12598835
Monoisotopic Mass296.12598835
Topological Polar Surface Area93.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T124792-01Cyclocalopin A

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