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?-Oryzanol

CAT: 0127-BUP20862-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-BUP20862-02Size:5 g
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CAS Number
24365-37-5
Synonyms
Gamma-Oryzanol , Oliver , Gammariza
Purity
=98%
Smiles
CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C

Chemical Information

CE(17:0)

Cholesteryl heptadecanoate is a cholesterol ester obtained by the formal condensation of cholesterol with margaric acid. It has a role as a mouse metabolite. It is functionally related to a heptadecanoic acid.

CAS Number24365-37-5
PubChem CID14077841
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] heptadecanoate
Molecular FormulaC44H78O2
Molecular Weight639.1
XLogP17
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count22
Heavy Atom Count46
Formal Charge0
Complexity919
SMILES
CCCCCCCCCCCCCCCCC(=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/C44H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h25,34-35,37-41H,7-24,26-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,43+,44-/m1/s1
InChIKey
PPQNZVDOBYGOLY-BFGJSWSOSA-N
Chemical Structure
2D Structure
2D structure of CE(17:0)
CAS: 24365-37-5
CID: 14077841
Formula: C44H78O2
MW: 639.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.1
XLogP317
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count22
Exact Mass638.60018173
Monoisotopic Mass638.60018173
Topological Polar Surface Area26.3 Ų
Heavy Atom Count46
Formal Charge0
Complexity919
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

Alternative Products

CatalogName
RM-O182501-01Gamma-Oryzanol (γ-​Oryzanol)
T3606-01γ-Oryzanol
FO26593-01Gamma-Oryzanol
RM-O182509-01Oryzanol Impurity 9
RM-O182506-01Oryzanol Impurity 6
RM-O182504-01Oryzanol Impurity 4
RM-O182503-01Oryzanol Impurity 3
RM-O182508-01Oryzanol Impurity 8
RM-O182505-01Oryzanol Impurity 5
RM-O182513-01Oryzanol Impurity 13

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