AG003OVL

1182-66-7 | Cholesteryl pelar GOnate

AG003OVL

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CAS Number	1182-66-7
Catalog Number	AG003OVL(AGN-PC-0PBP75)
Chemical Name	Cholesteryl pelar GOnate
EC Number	214-658-3
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] nonanoate
InChI	InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1
InChI Key	WCLNGBQPTVENHV-MKQVXYPISA-N
MDL Number	MFCD00003643
Molecular Formula	C36H62O2
Molecular Weight	526.8763
SMILES	CCCCCCCCC(OC1CC[C@]2(C)C3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CCC4C3CC=C2C1)=O
UNII	4313O7P4XW
Synonyms	cholesteryl nonanoate, cholesteryl pelargonate, Cholesteryl pelargonate, 1182-66-7, CHOLESTERYL NONANOATE, Cholesterol pelargonate, UNII-4313O7P4XW, 5-Cholesten-3beta-ol 3-nonanoate, MFCD00003643, Cholesterol, nonanoate, WCLNGBQPTVENHV-MKQVXYPISA-N, 4313O7P4XW, Cholesteryl pelargonate, 99+%, 3beta-Hydroxy-5-cholestene 3-nonanoate, Nonanoic Acid Cholesterol Ester, Pelargonic Acid Cholesterol Ester, GOnate, Cholesteryl pelar, Cholest-5-ene-3-beta-yl nonanoate, Cholesteryl nonylate, EINECS 214-658-3, Cholesterol Nonanoate, AC1MC38C, Cholesteryl pelargonate, 97%, SCHEMBL140320, Cholest-5-en-3-yl nonanoate #, CTK8A9359, 5-Cholesten-3|A-ol 3-nonanoate, 3|A-cholest-5-en-3-ol nonaoate, cholest-5-ene-3-|A-yl nonanoate, 5-Cholesten-3.beta.-ol pelargonate, ANW-17103, ZINC43799381, AKOS015839906, 3|A-Hydroxy-5-cholestene 3-nonanoate, Cholest-5-en-3-ol (3beta)-, nonanoate, TR-003146, Cholest-5-en-3-ol (3beta)-, 3-nonanoate, N0347, ST50330590, 182C667, C-30000, W-108549, (1S,5S,10S,11S,2R,14R,15R)-14-(1,5-dimethylhexyl)-2,15-dimethyltetracyclo[8.7. 0.0<2,7>.0<11,15>]heptadec-7-en-5-yl nonanoate, (3S,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 nonanoate, [(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] nonanoate, Cholesterylpelargonate, cc-111, C36H62O2, C36-H62-O2, CID2723614, Cholest-5-en-3-ol (3.beta.)-, nonanoate, Cholest- 5- ene- 3- beta- yl nonanoate, Cholest-5-en-3-ol, nonanoate, (3.beta.)-,

Complexity	797
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	526.475g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	526.89g/mol
Monoisotopic Mass	526.475g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	12.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H413
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

Lot Number