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Cholesterol Ethyl Carbonate

CAT: 0926-FC61983-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FC61983-01Size:10 g
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CAS Number
23836-43-3
Synonyms
Ethyl Carbonic Acid Cholesterol Ester
MDL Number
MFCD00037703
Smiles
CCOC (=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
Molecular Formula
C30H50O3
Molecular Weight
458.72 g/mol
Controlled
No

Chemical Information

Cholesterol Ethyl Carbonate
CAS Number23836-43-3
PubChem CID9981611
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] ethyl carbonate
Molecular FormulaC30H50O3
Molecular Weight458.7
XLogP9.9
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity726
SMILES
CCOC(=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/C30H50O3/c1-7-32-28(31)33-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-/m1/s1
InChIKey
VARVSEQINPNKDM-NXUCFJMCSA-N
Chemical Structure
2D Structure
2D structure of Cholesterol Ethyl Carbonate
CAS: 23836-43-3
CID: 9981611
Formula: C30H50O3
MW: 458.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.7
XLogP39.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass458.37599545
Monoisotopic Mass458.37599545
Topological Polar Surface Area35.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity726
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FC61980Cholesterol Heptyl Carbonate
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FC61986-01Cholesterol Isobutyl Carbonate
FC61989-01Cholesterol Hexyl Carbonate
FC61984-01Cholesterol Isopropyl Carbonate
FC61982Cholesterol Methyl Carbonate
FC61981-01Cholesterol oleyl carbonate
FC61979-01Cholesterol Nonyl Carbonate

Alternative Products

CatalogName
sc-486453Cholesterol Ethyl Carbonate
sc-486456Cholesterol Amyl Carbonate
sc-485596Cholesterol Heptyl Carbonate
sc-486454Cholesterol Isopropyl Carbonate
sc-486960Cholesterol Lauryl Carbonate
sc-486132Cholesterol nonyl carbonate
sc-485676Cholesterol Hexyl Carbonate
OR1030382Cholesterol Oleyl Carbonate
sc-486455Cholesterol Butyl Carbonate
sc-486457Cholesterol n-Octyl Carbonate

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