AG003OV7

7726-03-6 | Cholesterol Valerate , 95%

AG003OV7

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CAS Number	7726-03-6
Catalog Number	AG003OV7(AGN-PC-0UBAPC)
Chemical Name	Cholesterol Valerate , 95%
EC Number	231-773-4
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] pentanoate
InChI	InChI=1S/C32H54O2/c1-7-8-12-30(33)34-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)32(28,6)20-18-29(26)31/h13,22-23,25-29H,7-12,14-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
InChI Key	RWTQCZGAMKTBRV-PTHRTHQKSA-N
MDL Number	MFCD00037706
Molecular Formula	C32H54O2
Molecular Weight	470.7700
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](OC(CCCC)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Synonyms	cholesteryl valerate, Cholesteryl valerate, Cholesterol Valerate, 7726-03-6, Cholesteryl pentanoate, Cholesteryl n-valerate, Cholesterol n-valerate, Valeric Acid Cholesterol Ester, 5-Cholesten-3-beta-ol N-valerate, MFCD00037706, CE(5:0), CHOLESTERYL PENTANOATE (VALERATE), Cholesterol pentanoate, 5:0 Cholesteryl ester, Cholesterol pentanoic acid, Cholesteryl pentanoic acid, 5-Cholesten-3b-ol valerate, Cholest-5-en-3b-ol valerate, SCHEMBL160533, Valeric acid cholesteryl ester, AC1L39D2, Cholest-5-en-3beta-yl valerate, CTK8A8959, Cholest-5-en-3-yl pentanoate #, cholest-5-en-3beta-yl pentanoate, RWTQCZGAMKTBRV-PTHRTHQKSA-N, 5-Cholesten-3beta-ol 3-pentanoate, ZINC6129939, EINECS 231-773-4, ANW-14116, (3b)-Cholest-5-en-3-ol pentanoate, AKOS027381478, FR-0479, (3b)-Cholest-5-en-3-ol pentanoic acid, 3beta-Hydroxy-5-cholestene 3-pentanoate, Cholest-5-en-3-ol (3beta), pentanoate, TR-024695, Cholest-5-en-3-ol (3.beta.)-, pentanoate, C-48324, Cholesteryl n-valerate, >=90% (HPLC; detection at 205 nm), [(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] pentanoate, AR-1I2185, c0677, CID111329, Cholesteryl n-valerate, 98% - 25G 25g, (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl pentanoate, 10029-24-0,

Complexity	737
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	470.412g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	470.782g/mol
Monoisotopic Mass	470.412g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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