Pterostilbene

Catalog	ACM537428
CAS	537-42-8
Structure
Description	Pterostilbene is a stilbenoid chemically related to resveratrol. In plants, it serves a defensive phytoalexin role.
Synonyms	3,5-Dimethoxy-4'-hydroxystilbene
IUPAC Name	4-[(E)-2-(3,5-Dimethoxyphenyl)ethenyl]phenol
Molecular Weight	256.3
Molecular Formula	C16H16O3
Canonical SMILES	COC1=CC(=CC(=C1)C=CC2=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+
InChI Key	VLEUZFDZJKSGMX-ONEGZZNKSA-N
Boiling Point	420.4±35.0 °C
Melting Point	89-92 °C
Flash Point	208.1ºC
Density	1.169±0.06 g/cm³
Appearance	Off-white crystalline powder
Exact Mass	256.109944368
Isomeric SMILES	COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)O)OC
Monoisotopic Mass	256.109944368
Physical State	Solid
Refractive Index	1.639
Storage Conditions	2-8 °C
Topological Polar Surface Area	38.7 Ų