AG002BSX

1989-52-2 | Cholest-5-en-3-ol (3β)-, 3-tetradecanoate

AG002BSX

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CAS Number	1989-52-2
Catalog Number	AG002BSX(AGN-PC-0QQ9RC)
Chemical Name	Cholest-5-en-3-ol (3β)-, 3-tetradecanoate
EC Number	217-867-8
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] tetradecanoate
InChI	InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1
InChI Key	SJDMTGSQPOFVLR-ZPQCIJQQSA-N
MDL Number	MFCD00014256
Molecular Formula	C41H72O2
Molecular Weight	597.0092
SMILES	CCCCCCCCCCCCCC(OC1CC[C@]2(C)C3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CCC4C3CC=C2C1)=O
Synonyms	cholesteryl myristate, Cholesterol Myristate, Cholesteryl myristate, Cholestryl myristate, Cholesteryl tetradecanoate, 1989-52-2, CE(14:0), Cholest-5-en-3beta-yl myristate, 1-myristoyl-cholesterol, 14:0 Cholesteryl ester, cholest-5-en-3beta-yl tetradecanoate, Cholesterol Ester(14:0), cholesterol 1-tetradecanoic acid, Cholesterol Ester(14:0/0:0), CE(14:0/0:0), Cholest-5-en-3-ol (3beta)-, 3-tetradecanoate, EINECS 217-867-8, NSC 226867, Cholestryl myristic acid, cholesterol 1-myristoate, cholesteryl 1-myristoate, 14:0 Cholesterol ester, AC1L40XJ, cholesterol 1-tetradecanoate, cholesteryl 1-tetradecanoate, cholesterol 1-myristoic acid, cholesteryl 1-myristoic acid, Cholesteryl tetradecanoic acid, SCHEMBL161746, Cholesterol, myristate (8CI), Myristic Acid Cholesterol Ester, cholesteryl 1-tetradecanoic acid, CHEBI:84304, Cholest-5-en-3-yl myristate #, CTK8B1127, SJDMTGSQPOFVLR-ZPQCIJQQSA-N, 5-Cholesten-3.beta.-ol myristate, HY-N2338, ANW-23841, LMST01020004, MFCD00014256, ZINC40164522, AKOS025285999, CE 14:0, CS-6327, FR-0352, AN-50225, cholest-5-en-3beta-yl tetradecanoic acid, (3beta)-cholest-5-en-3-yl tetradecanoate, Cholest-5-en-3-ol (3beta)-tetradecanoate, TC-112586, C0675, Cholest-5-en-3-ol (3beta)-, tetradecanoate, Cholest-5-en-3-ol (3beta)-tetradecanoic acid, 989C522, C-51727, [(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] tetradecanoate, [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] tetradecanoate, Cholesterol, myristate, C41H72O2, CID99486, AR-1I2181, C41-H72-O2, Cholest-5-en-3-ol (3.beta.)-, tetradecanoate, C032561, 20358-29-6,

Complexity	873
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	596.553g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	597.025g/mol
Monoisotopic Mass	596.553g/mol
Rotatable Bond Count	19
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	15.4

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