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Maingayone

CAT: 0013-GTR19233256Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233256Size:10 mg
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Description
Maingayone (CAS 271585-66-1) is a natural product suitable for use as a reference standard in research. It is utilized in biochemical studies for in vitro assays investigating its biological activity and potential mechanisms of action.
CAS Number
271585-66-1
Smiles
C (CCCCCCCCC1=CC (O) =C (O) C=C1) (C2=C (O) C (C (CCCCCCCCC3=CC (O) =C (O) C=C3) =O) =C (O) C=C2) C4=C (O) C=CC=C4O
Molecular Formula
C42H52O9
Molecular Weight
700.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Maingayone
CAS Number271585-66-1
PubChem CID10439720
IUPAC Name9-(3,4-dihydroxyphenyl)-1-[3-[1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonyl]-2,6-dihydroxyphenyl]nonan-1-one
Molecular FormulaC42H52O9
Molecular Weight700.9
XLogP11.7
Topological Polar Surface Area179
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count51
Formal Charge0
Complexity955
SMILES
C1=CC(=C(C(=C1)O)C(CCCCCCCCC2=CC(=C(C=C2)O)O)C3=C(C(=C(C=C3)O)C(=O)CCCCCCCCC4=CC(=C(C=C4)O)O)O)O
InChI
InChI=1S/C42H52O9/c43-32-23-20-28(26-38(32)49)14-9-5-1-3-7-11-16-30(40-34(45)18-13-19-35(40)46)31-22-25-37(48)41(42(31)51)36(47)17-12-8-4-2-6-10-15-29-21-24-33(44)39(50)27-29/h13,18-27,30,43-46,48-51H,1-12,14-17H2
InChIKey
WZPJUCRWKNGODO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Maingayone
CAS: 271585-66-1
CID: 10439720
Formula: C42H52O9
MW: 700.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight700.9
XLogP311.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass700.36113323
Monoisotopic Mass700.36113323
Topological Polar Surface Area179 Ų
Heavy Atom Count51
Formal Charge0
Complexity955
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M32454-01Maingayone
TN7448-01Maingayone B

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