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Agonodepside B

CAT: 0926-VSA29841-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-VSA29841-02Size:10 mg
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CAS Number
445298-41-9
Smiles
C1=C (C (=C (C=N1) Cl) F) C#N
Molecular Formula
C24H26O7
Molecular Weight
426.50 g/mol
Controlled
No

Chemical Information

Agonodepside B

Agonodepside B is a carbonyl compound.

CAS Number445298-41-9
PubChem CID636437
IUPAC Name6-[(E)-but-2-en-2-yl]-4-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyl]oxy-2-hydroxy-3-methylbenzoic acid
Molecular FormulaC24H26O7
Molecular Weight426.5
XLogP6.9
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity727
SMILES
C/C=C(\C)/C1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)/C(=C/C)/C)C(=O)O)O)C)O)C)O
InChI
InChI=1S/C24H26O7/c1-7-11(3)15-9-17(25)13(5)21(26)20(15)24(30)31-18-10-16(12(4)8-2)19(23(28)29)22(27)14(18)6/h7-10,25-27H,1-6H3,(H,28,29)/b11-7+,12-8+
InChIKey
LFTHRDXERPBJOF-MKICQXMISA-N
Chemical Structure
2D Structure
2D structure of Agonodepside B
CAS: 445298-41-9
CID: 636437
Formula: C24H26O7
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP36.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass426.16785316
Monoisotopic Mass426.16785316
Topological Polar Surface Area124 Ų
Heavy Atom Count31
Formal Charge0
Complexity727
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N10242Agonodepside B

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