AG003CPZ

1183-04-6 | Cholesterol Decanoate

AG003CPZ

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CAS Number	1183-04-6
Catalog Number	AG003CPZ(AGN-PC-0PBQKD)
Chemical Name	Cholesterol Decanoate
EC Number	214-660-4
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] decanoate
InChI	InChI=1S/C37H64O2/c1-7-8-9-10-11-12-13-17-35(38)39-30-22-24-36(5)29(26-30)18-19-31-33-21-20-32(28(4)16-14-15-27(2)3)37(33,6)25-23-34(31)36/h18,27-28,30-34H,7-17,19-26H2,1-6H3/t28-,30+,31+,32-,33+,34+,36+,37-/m1/s1
InChI Key	LJGMGXXCKVFFIS-IATSNXCDSA-N
MDL Number	MFCD00021150
Molecular Formula	C37H64O2
Molecular Weight	540.9029
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4CC(OC(CCCCCCCCC)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
UNII	16J5BGD5AE
Synonyms	cholesteryl decanoate, Cholesterol Decanoate, Cholesteryl decanoate, 1183-04-6, Cholesteryl caprate, UNII-16J5BGD5AE, Cholesteryl Decanoate (Caprate), 16J5BGD5AE, MFCD00021150, Cholesteryl n-decanoate, Cholesteryl n-decylate, Cholest-5-en-3-ol (3.beta.)-, decanoate, Cholest-5-en-3-beta-yl decanoate, cholesterol caprinate, EINECS 214-660-4, cholesterol n-caprate, 10:0 Cholesteryl ester, Capric Acid Cholesterol Ester, SCHEMBL161427, Decanoic Acid Cholesterol Ester, cholest-5-en-3beta-yl decanoate, CTK8A9360, 3.beta.-Decanoyloxycholest-5-ene, 5-Cholesten-3.beta.-ol decylate, LJGMGXXCKVFFIS-IATSNXCDSA-N, 5-Cholesten-3beta-ol 3-decanoate, ANW-17109, ZINC80546146, AKOS025310954, FR-0289, 3beta-Hydroxy-5-cholestene 3-decanoate, (3beta)-Cholest-5-en-3-ol, decanoate, Cholest-5-en-3-ol (3beta)-, decanoate, TR-003151, C0618, Cholest-5-en-3-ol (3beta)-, 3-decanoate, J-003732, UNII-137SL7IL0Y component LJGMGXXCKVFFIS-IATSNXCDSA-N, Cholesteryl n-decanoate, ~95% (HPLC; detection at 205 nm), Cholesteryl oleate, cholesterol caproate, C37H64O2, C37-H64-O2, CID10053034, CE(10:0), 2OB,

Complexity	812
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	540.491g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	540.917g/mol
Monoisotopic Mass	540.491g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	13.2

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

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