Cholesteryl Linolenate

CAT: 0572-TRC-C432588-250MGSize: 250 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-C432588-250MGSize:250 mg

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CAS Number

2545-22-4

Synonyms

(9Z,12Z,15Z)-9,12,15-octadecatrienoate (3beta)-Cholest-5-en-3-ol; Cholesterol alpha-linolenate; Linolenic Acid Cholesteryl Ester; (3beta)-Cholest-5-en-3-ol (Z,Z,Z)-9,12,15-octadecatrienoate

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C

Molecular Formula

C45H74O2

Molecular Weight

647.07

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Cholesteryl linolenate

Cholesteryl linolenate is a cholesterol ester obtained by the formal condensation of cholesterol with (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid. It has a role as a mouse metabolite. It is functionally related to an alpha-linolenic acid.

CAS Number	2545-22-4
PubChem CID	6436907
IUPAC Name	[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Molecular Formula	C45H74O2
Molecular Weight	647.1
XLogP	15.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	20
Heavy Atom Count	47
Formal Charge	0
Complexity	1060

SMILES

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

InChI

InChI=1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3/b9-8-,12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

InChIKey

FYMCIBHUFSIWCE-WVXFKAQASA-N

Chemical Structure

2D Structure

CAS: 2545-22-4

CID: 6436907

Formula: C45H74O2

MW: 647.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	647.1
XLogP3	15.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	20
Exact Mass	646.56888160
Monoisotopic Mass	646.56888160
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1060
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TRC-M315700-500MG	Methyl Linolenate
TRC-G615710-50MG	Glycidyl Linolenate
TRC-M315700-1G	Methyl Linolenate
TRC-M315700-5G	Methyl Linolenate
TRC-G615710-500MG	Glycidyl Linolenate
TRC-M315702-50MG	Methyl-d3 Linolenate
TRC-M315702-5MG	Methyl-d3 Linolenate
TRC-G615712-25MG	Glycidyl Linolenate-d5
TRC-G615712-2.5MG	Glycidyl Linolenate-d5
TRC-A594813-100MG	7-HC-gamma-linolenate

Alternative Products

Catalog	Name
T10807-01	Cholesteryl Linolenate
HY-166298-01	Cholesteryl gamma linolenate
GTR19190237	Cholesteryl Homo-γ-Linolenate
MBS5798794	Cholesteryl Homo-gamma-Linolenate
HY-165771	Arachidyl linolenate
HY-165898	Myristyl linolenate
MBS394842-01	Linolenyl Linolenate
MBS394841-01	Linoleyl Linolenate
MBS393461	Stearyl Linolenate
sc-394405	Glycidyl linolenate

Cholesteryl Linolenate

Chemical Information

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