AG003OV9

604-32-0 | Cholesteryl benzoate

AG003OV9

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CAS Number	604-32-0
Catalog Number	AG003OV9(AGN-PC-0SW6GE)
Chemical Name	Cholesteryl benzoate
EC Number	210-064-3
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] benzoate
InChI	InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3/t24-,27+,28+,29-,30+,31+,33+,34-/m1/s1
InChI Key	UVZUFUGNHDDLRQ-LLHZKFLPSA-N
MDL Number	MFCD00003635
Molecular Formula	C34H50O2
Molecular Weight	490.7596
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](OC(C5=CC=CC=C5)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
UNII	N09H13SHLB
Synonyms	cholesteryl benzoate, cholesteryl benzoate, (3alpha)-isomer, CHOLESTERYL BENZOATE, 604-32-0, Cholesterol benzoate, 3b-(Benzoyloxy)cholest-5-ene, UNII-N09H13SHLB, Cholesteryl benzoate, 98%, N09H13SHLB, Cholest-5-ene-3-beta-yl benzoate, EINECS 210-064-3, Cholest-5-en-3-ol (3.beta.)-, benzoate, 5-Cholesten-3.beta.-ol benzoate, Cholest-5-en-3-ol (3beta)-, benzoate, SCHEMBL162524, AC1MC389, Cholest-5-en-3-yl benzoate #, CTK6A7330, UVZUFUGNHDDLRQ-LLHZKFLPSA-N, ZINC4261773, ANW-33496, MFCD00003635, AKOS016015070, RTR-020871, SC-77455, Cholest-5-en-3-ol (3beta)-, 3-benzoate, ST24028625, ST50330591, 604C320, J-640214, Q-200844, Chlortetracycline, Antibiotic for Culture Media Use Only, (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 benzoate, [(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] benzoate, 14-((1S)-1,5-dimethylhexyl)(1S,5S,10S,11S,2R,14R,15R)-2,15-dimethyltetracyclo[ 8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-yl benzoate, cholesterylbenzoate, Cholesterol, benzoate, cc-134, 5-Chloroesten-3beta-ol 3-benzoate, C34H50O2, c0320, C34-H50-O2, CID2723613,

Complexity	806
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	490.381g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	490.772g/mol
Monoisotopic Mass	490.381g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.8

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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