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?-Oryzanol

CAT: 0127-OR1044049-02Size: 25 gDry Ice: NoHazardous: No
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CAS Number
11042-64-1
Synonyms
[ (1S,3R,6S,8R,11S,12S,15R,16R) -7,7,12,16-tetramethyl-15-[ (2R) -6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E) -3- (4-hydroxy-3-methoxyphenyl) prop-2-enoate
MDL Number
MFCD00867548
Purity
98%
Smiles
[H]C2(OC(=O)C=Cc1ccc(O)c(OC)c1)(CCC36(CC46(CCC5(C)(C([H])(CCC5(C)(C4(CCC3(C2(C)(C)))))C(C)CCC=C(C)C))))

Chemical Information

Gamma-Oryzanol

Gamma-Oryzanol (TN) is a triterpenoid.

CAS Number11042-64-1
PubChem CID5282164
IUPAC Name[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC40H58O4
Molecular Weight602.9
XLogP12.1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity1150
SMILES
C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C
InChI
InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27-,29-,32+,33+,34+,37-,38+,39-,40+/m1/s1
InChIKey
FODTZLFLDFKIQH-FSVGXZBPSA-N
Chemical Structure
2D Structure
2D structure of Gamma-Oryzanol
CAS: 11042-64-1
CID: 5282164
Formula: C40H58O4
MW: 602.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight602.9
XLogP312.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass602.43351033
Monoisotopic Mass602.43351033
Topological Polar Surface Area55.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
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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