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24-Methylene cycloartanyl ferulate

CAT: 1410-M32244-01Size: 1 EachDry Ice: NoHazardous: No
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Description
24-Methylenecycloartanyl ferulate, a compound belonging to the γ-oryzanol family, demonstrates the ability to enhance parvin-beta expression within human breast cancer cells.
CAS Number
469-36-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
616.91
Molecular Formula
C41H60O4
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Oryzanol C

Oryzanol C is a triterpenoid.

CAS Number469-36-3
PubChem CID9920169
IUPAC Name[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC41H60O4
Molecular Weight616.9
XLogP12.6
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count45
Formal Charge0
Complexity1170
SMILES
C[C@H](CCC(=C)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/C41H60O4/c1-26(2)27(3)10-11-28(4)30-18-20-39(8)34-16-15-33-37(5,6)35(19-21-40(33)25-41(34,40)23-22-38(30,39)7)45-36(43)17-13-29-12-14-31(42)32(24-29)44-9/h12-14,17,24,26,28,30,33-35,42H,3,10-11,15-16,18-23,25H2,1-2,4-9H3/b17-13+/t28-,30-,33+,34+,35+,38-,39+,40-,41+/m1/s1
InChIKey
JBSUVXVGZSMGDJ-YVMHCORFSA-N
Chemical Structure
2D Structure
2D structure of Oryzanol C
CAS: 469-36-3
CID: 9920169
Formula: C41H60O4
MW: 616.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.9
XLogP312.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass616.44916039
Monoisotopic Mass616.44916039
Topological Polar Surface Area55.8 Ų
Heavy Atom Count45
Formal Charge0
Complexity1170
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

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GTR19237141-0124-Methylene cycloartanyl ferulate
RM-O182511-01Oryzanol C (24-Methylene Cycloartanyl Ferulate)
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