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Pterostilbene

CAT: 0127-BIP1700-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-BIP1700-03Size:25 g
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CAS Number
537-42-8
Synonyms
3,5-Dimethoxy-4'-hydroxystilbene, 4-[ (1E) -2- (3,5-Dimethoxyphenyl) ethenyl]phenol, Pterocarpus marsupium
MDL Number
MFCD00238710
Purity
98%
Smiles
COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
Storage Conditions
Store at 2-8°C

Chemical Information

Pterostilbene

Pterostilbene is a stilbenol that consists of trans-stilbene bearing a hydroxy group at position 4 as well as two methoxy substituents at positions 3' and 5'. It has a role as an antioxidant, a neurotransmitter, a hypoglycemic agent, an antineoplastic agent, a radical scavenger, a neuroprotective agent, an anti-inflammatory agent, an apoptosis inducer and a plant metabolite. It is a stilbenol, a diether and a member of methoxybenzenes. It derives from a hydride of a trans-stilbene.

CAS Number537-42-8
PubChem CID5281727
IUPAC Name4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
Molecular FormulaC16H16O3
Molecular Weight256.30
XLogP3.8
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity270
SMILES
COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)O)OC
InChI
InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
InChIKey
VLEUZFDZJKSGMX-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of Pterostilbene
CAS: 537-42-8
CID: 5281727
Formula: C16H16O3
MW: 256.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.30
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass256.109944368
Monoisotopic Mass256.109944368
Topological Polar Surface Area38.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
N2126-5.1Pterostilbene

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