Hexacosyl (E) -ferulate

CAT: 0931-TMA0245-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-TMA0245-01Size:25 mg

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CAS Number

63034-29-7

Target

Others

Related Pathways

Others

Bioactivity

Hexacosyl (E) -ferulate displays significant antioxidant activity in the DPPH assay (RC50 = 0.0976 mg/mL) . It also might be a chemotaxonomic marker in the genus Echinops.

Smiles

C(=C/C(OCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)\C1=CC(OC)=C(O)C=C1

Molecular Formula

C36H62O4

Molecular Weight

558.88

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Hexacosyl (E)-ferulate

CAS Number	63034-29-7
PubChem CID	5318033
IUPAC Name	hexacosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Formula	C36H62O4
Molecular Weight	558.9
XLogP	15
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	29
Heavy Atom Count	40
Formal Charge	0
Complexity	575

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C36H62O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-40-36(38)30-28-33-27-29-34(37)35(32-33)39-2/h27-30,32,37H,3-26,31H2,1-2H3/b30-28+

InChIKey

LMNZEDXMWAJKBB-SJCQXOIGSA-N

Chemical Structure

2D Structure

CAS: 63034-29-7

CID: 5318033

Formula: C36H62O4

MW: 558.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	558.9
XLogP3	15
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	29
Exact Mass	558.46481045
Monoisotopic Mass	558.46481045
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	575
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TN8598-01	Piperazine ferulate
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T2821-01	Ethyl ferulate
TN4129	Geranyl ferulate
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Alternative Products

Catalog	Name
MBS5786713	Hexacosyl (E)-ferulate
NCA03429-01	Hexacosyl (E) -ferulate
sc-213333	1-Hexacosyl acetate
FH181085	Hexacosyl acetate
B675550	(-)-Bornyl Ferulate
TRC-D494650-50MG	Docosyl Ferulate
FCA51107	(-) -Bornyl ferulate
WAA23833-01	Cycloartenyl ferulate
HY-N1916-01	Coniferyl ferulate
AB3004	Phenethyl ferulate

Hexacosyl (E) -ferulate

Chemical Information

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