AG003OVI

604-33-1 | Cholesteryl linoleate

AG003OVI

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CAS Number	604-33-1
Catalog Number	AG003OVI(AGN-PC-0SW6OB)
Chemical Name	Cholesteryl linoleate
EC Number	210-065-9
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)-octadeca-9,12-dienoate
InChI	InChI=1S/C45H76O2/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/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChI Key	NAACPBBQTFFYQB-LJAITQKLSA-N
MDL Number	MFCD00003644
Molecular Formula	C45H76O2
Molecular Weight	649.0837
SMILES	CCCCC/C=CC/C=CCCCCCCCC(OC1CC[C@]2(C)C3CC[C@]4(C)[C@@H]([C@@H](CCCC(C)C)C)CCC4C3CC=C2C1)=O
UNII	75427237HI
Synonyms	cholesteryl linoleate, cholesteryl linoleate, (E,E)-isomer, cholesteryl linoleate, (E,Z)-isomer, cholesteryl linoleate, (Z,E)-isomer, cholesteryl linolelaidate, cholesteryl trans-9-trans-12-octadecadienoate, CLOH, Cholesteryl linoleate, Cholesterol Linoleate, 604-33-1, 18:2 Cholesteryl ester, Linoleic Acid Cholesterol Ester, CE(18:2), Cholest-5-en-3beta-yl (Z,Z)-octadeca-9,12-dienoate, CE(18:2(9Z,12Z)), (Z,Z)-(3beta)-Cholest-5-en-3-ol 9,12-octadecadienoate, UNII-75427237HI, MFCD00003644, CE 18:2, cholesteryl (9Z,12Z-octadecadienoate), 75427237HI, cholest-5-en-3beta-yl (9Z,12Z-octadecadienoate), (3beta)-cholest-5-en-3-ol, (Z,Z)-9,12-octadecadienoate, (3beta)-cholest-5-en-3-ol, (9Z,12Z)-9,12-octadecadienoate, CLL, Cholesteryl octadecadienoate, 5-Cholesten-3beta-ol 3-linoleate, Cholesteryl 9,12-octadecadienoate, EINECS 210-065-9, NSC 18183, AC1NRAKB, SCHEMBL134101, Cholesterol, linoleate (8CI), CHEBI:41509, NAACPBBQTFFYQB-LJAITQKLSA-N, [(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)-octadeca-9,12-dienoate, LMST01020008, ZINC59660734, AKOS025310952, cholesteryl (9Z,12Z)-octadecadienoate, CS-W011413, DB02092, HY-W010697, 3beta-Hydroxy-5-cholestene 3-linoleate, SC-19755, 3(beta)-Hydroxy-5-cholestene 3-linoleate, C15441, 45853-EP2305671A1, 45853-EP2308861A1, 45853-EP2311494A1, 45853-EP2311807A1, W-105253, (Z,Z)-(3beta)-Cholest-5-en-3-ol, 9,12-octadecadienoate, (3beta)-cholest-5-en-3-yl (9Z,12Z)-octadeca-9,12-dienoate, Cholesteryl linoleate, >=98% (HPLC; detection at 205 nm), Cholest-5-en-3-ol (3beta)-, (9Z,12Z)-9,12-octadecadienoate, Cholest-5-en-3-ol (3beta)-, 3-((9Z,12Z)-9,12-octadecadienoate), Cholest-5-en-3-ol (3beta)-, 9,12-octadecadienoate, (Z,Z)- (9CI), (3alpha,8alpha,17alpha)-cholest-5-en-3-yl (9Z,12Z)-octadeca-9,12-dienoate, Cholesteryllinoleate, Cholesterol palmitate, CLOH, Cholesterol, linoleate, Cholesteryl hexadecanoate, Cholesteryl linolelaidate, C45H76O2, c0321, cholesteryl linoleate, (E,E)-isomer, cholesteryl linoleate, (E,Z)-isomer, cholesteryl linoleate, (Z,E)-isomer, C45-H76-O2, CID5287939, cholesteryl trans-9-trans-12-octadecadienoate, C021976, (Z,Z)-(3 beta)-cholest-5-en-3-ol, 9,12- octadecadienoate, Cholest-5-en-3-ol (3.beta.)-, (9Z,12Z)-9,12-octadecadienoate, Cholest-5-en-3-ol (3.beta.)-, 9,12-octadecadienoate, (Z,Z)-,

Complexity	1020
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	2
Exact Mass	648.585g/mol
Formal Charge	0
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	649.101g/mol
Monoisotopic Mass	648.585g/mol
Rotatable Bond Count	21
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	15.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number