AG003OVJ

17110-51-9 | Cholesterol Oleyl Carbonate

AG003OVJ

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CAS Number	17110-51-9
Catalog Number	AG003OVJ(AGN-PC-0Q9UK1)
Chemical Name	Cholesterol Oleyl Carbonate
EC Number	241-179-7
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] [(Z)-octadec-9-enyl] carbonate
InChI	InChI=1S/C46H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-48-44(47)49-39-30-32-45(5)38(35-39)26-27-40-42-29-28-41(37(4)25-23-24-36(2)3)46(42,6)33-31-43(40)45/h14-15,26,36-37,39-43H,7-13,16-25,27-35H2,1-6H3/b15-14-/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1
InChI Key	XMPIMLRYNVGZIA-TZOMHRFMSA-N
MDL Number	MFCD00003634
Molecular Formula	C46H80O3
Molecular Weight	681.1256
SMILES	O=C(OC1CC[C@]2(C)C3CC[C@]4(C)[C@@H]([C@@H](CCCC(C)C)C)CCC4C3CC=C2C1)OCCCCCCCC/C=C/CCCCCCCC
UNII	95LLB1K2WE
Synonyms	Cholesteryl oleyl carbonate, 17110-51-9, Cholesterol Oleyl Carbonate, UNII-95LLB1K2WE, 95LLB1K2WE, EINECS 241-179-7, Cholest-5-en-3beta-yl (Z)-octadec-9-en-1-yl carbonate, AC1O4BS5, SCHEMBL246733, Carbonic acid cholesteryl oleyl, Cholest-5-en-3-ol (3beta)-, (9Z)-9-octadecenyl carbonate, ZINC6920389, Cholest-5-en-3-ol (3beta)-, 3-((9Z)-9-octadecen-1-yl carbonate), MFCD00003634, Oleyl Carbonic Acid Cholesterol Ester, AKOS025310958, AS-15490, P573, [(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] [(Z)-octadec-9-enyl] carbonate, C46H80O3, c0691, C46-H80-O3, CID6364539, Cholesterol, 9-octadecenyl carbonate, (Z)-, Cholest-5-en-3-ol (3.beta.)-, (9Z)-9-octadecenyl carbonate, Cholest-5-en-3-ol (3.beta.)-, 9-octadecenyl carbonate, (Z)-,

Complexity	1010
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	1
Exact Mass	680.611g/mol
Formal Charge	0
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	681.143g/mol
Monoisotopic Mass	680.611g/mol
Rotatable Bond Count	24
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	17.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number