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Planispine A

CAT: 1410-M32289-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M32289-01Size:1 Each
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Description
Planispine A has Anti-inflammatory activity.
CAS Number
1202761-42-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
440.5
Molecular Formula
C26H32O6
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Planispine A
CAS Number1202761-42-9
PubChem CID162639183
IUPAC Name(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
Molecular FormulaC26H32O6
Molecular Weight440.5
XLogP4.4
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity619
SMILES
CC(=CCOC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@H]([C@H]3CO2)C4=CC(=C(C=C4)OC)OC)OC)C
InChI
InChI=1S/C26H32O6/c1-16(2)10-11-30-22-9-7-18(13-24(22)29-5)26-20-15-31-25(19(20)14-32-26)17-6-8-21(27-3)23(12-17)28-4/h6-10,12-13,19-20,25-26H,11,14-15H2,1-5H3/t19-,20-,25-,26+/m0/s1
InChIKey
VRRDTZZCQTYUBV-WJQBNGMASA-N
Chemical Structure
2D Structure
2D structure of Planispine A
CAS: 1202761-42-9
CID: 162639183
Formula: C26H32O6
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass440.21988874
Monoisotopic Mass440.21988874
Topological Polar Surface Area55.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19227753-01Planispine A

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