AG002ZJU

303-43-5 | Cholest-5-en-3-ol (3β)-, 3-[(9Z)-9-octadecenoate]

AG002ZJU

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CAS Number	303-43-5
Catalog Number	AG002ZJU(AGN-PC-0R5P97)
Chemical Name	Cholest-5-en-3-ol (3β)-, 3-[(9Z)-9-octadecenoate]
EC Number	206-142-1
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] (Z)-octadec-9-enoate
InChI	InChI=1S/C45H78O2/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/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChI Key	RJECHNNFRHZQKU-RMUVNZEASA-N
MDL Number	MFCD00003645
Molecular Formula	C45H78O2
Molecular Weight	651.0996
SMILES	CCCCCCCCC=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1
UNII	3DPK9KFN2M
Synonyms	cholesterol oleate, cholesteryl oleate, cholesteryl oleate, (E)-isomer, Cholesteryl oleate, Oleoylcholesterol, Cholesteryl cis-9-octadecenoate, Cholesteroyl-oleate, 303-43-5, Cholesterol Oleate, Oleic acid cholesteryl ester, Cholest-5-en-3-beta-yl oleate, 18:1 Cholesteryl ester, UNII-3DPK9KFN2M, 3DPK9KFN2M, Cholesterol, oleate (8CI), CE(18:1), Cholesteryl oleate-9,10-t2, CHEBI:46898, RJECHNNFRHZQKU-RMUVNZEASA-N, 3beta-Hydroxy-5-cholestene 3-oleate, MFCD00003645, CE 18:1, cholest-5-en-3b-yl (9Z-octadecenoate), CE(18:1(9Z)), Cholest-5-en-3-ol (3beta)-, (9Z)-9-octadecenoate, Cholesteryl oleic ester, Cholesterol 3beta-oleate, 5-Cholesten-3b-ol 3-oleate, Cholesteryl oleate-9,10-3H, 5-Cholesten-3|A-ol 3-oleate, Cholesteryl [9,10-3H]oleate, Cholest-5-en-3-ol (3beta)-, 3-((9Z)-9-octadecenoate), Cholest-5-en-3-ol (3beta)-, 3-[(9Z)-9-octadecenoate], cholest-5-en-3-yl 9-octadecenoate, 3|A-Hydroxy-5-cholestene 3-oleate, 2OB, C45H78O2, EINECS 206-142-1, NSC 18186, AC1NR2OJ, Oleic Acid Cholesterol Ester, SCHEMBL132003, cholesteryl (9Z-octadecenoate), Cholesteryl-cis-9-octadecenoate, 5-Cholesten-3beta-ol 3-oleate, CHEMBL1097567, Cholesterol, oleate (6CI,8CI), ZINC8437791, LMST01020003, Oleic acid, cholesteryl ester (6CI), AKOS025311525, P574, Cholest-5-en-3-yl (9Z)-9-octadecenoate, HY-113217, CS-0059332, Cholest-5-en-3-yl (9Z)-9-octadecenoate #, C14641, Z-0797, (3beta)-cholest-5-en-3-ol, (Z)-9-octadecenoate, 303C435, (3beta)-cholest-5-en-3-yl (9Z)-octadec-9-enoate, Cholest-5-en-3-ol (3beta)-, 9-octadecenoate, (Z)-, Cholesteryl oleate, >=98% (HPLC; detection at 205 nm), Cholesteryl oleate-13C18, 99 atom % 13C, 95% (CP), UNII-DFP79OD7KP component RJECHNNFRHZQKU-RMUVNZEASA-N, 9-octadecenoic acid, (3beta)-cholest-5-en-3-yl ester, (9Z)-, Cholest-5-en-3-ol (3beta)-, (9Z)-9-octadecenoate (9CI), (3beta,9beta,14beta,17alpha)-cholest-5-en-3-yl (9Z)-octadec-9-enoate, Cholest-5-en-3-ol (3beta)-, 9-octadecenoate-9,10-t2, (Z)- (9CI), [(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] (Z)-octadec-9-enoate, Cholesterol, oleate, cholesteryl oleate, (E)-isomer, c0559, C45-H78-O2, CID5283632, C-5830, C014409, Cholest-5-en-3-ol (3.beta.)-, (9Z)-9-octadecenoate, Cholest-5-en-3-ol (3.beta.)-, 9-octadecenoate, (Z)-, Cholest-5-en-3-ol, 9-octadecenoate, (3.beta.)-,(Z)-,

Complexity	977
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	1
Exact Mass	650.6g/mol
Formal Charge	0
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	651.117g/mol
Monoisotopic Mass	650.6g/mol
Rotatable Bond Count	22
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	16.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number