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Cholesteryl oleyl carbonate

CAT: 0024-sc-294022ASize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-294022ASize:100 g
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CAS Number
17110-51-9

Chemical Information

Cholesteryl oleyl carbonate
CAS Number17110-51-9
PubChem CID6364539
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
Molecular FormulaC46H80O3
Molecular Weight681.1
XLogP17.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count24
Heavy Atom Count49
Formal Charge0
Complexity1010
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
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
InChIKey
XMPIMLRYNVGZIA-TZOMHRFMSA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl oleyl carbonate
CAS: 17110-51-9
CID: 6364539
Formula: C46H80O3
MW: 681.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight681.1
XLogP317.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count24
Exact Mass680.61074641
Monoisotopic Mass680.61074641
Topological Polar Surface Area35.5 Ų
Heavy Atom Count49
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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sc-478538Oleyl Mesylate
sc-215628AOleyl alcohol
sc-205419Oleyl Anilide
sc-215628Oleyl alcohol

Alternative Products

CatalogName
C21135-01Cholesteryl oleyl carbonate
OR1030382Cholesterol Oleyl Carbonate
OR1043558Cholesteryl Hexadecyl Carbonate
OR1043551-01Cholesteryl Ethyl Carbonate
C20930-01Cholesteryl geranyl carbonate
C20925-01Cholesteryl furfuryl carbonate
C21080Cholesteryl methyl carbonate
C20915Cholesteryl ethyl carbonate 95%
C20908Cholesteryl 2- (2-ethoxyethoxy) ethyl carbonate
C21180Cholesteryl 2-propyn-1-Yl carbonate

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