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Kelletinin A

CAT: 0804-HY-125054Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-125054Size:1 Each
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Description
Kelletinin A is an active compound.
CAS Number
112727-22-7
Product Name Alternative
Buccinulin
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/kelletinin-a.html
Smiles
O=C(C1=CC=C(C=C1)O)OCC(C(C(COC(C2=CC=C(C=C2)O)=O)OC(C3=CC=C(C=C3)O)=O)OC(C4=CC=C(C=C4)O)=O)OC(C5=CC=C(C=C5)O)=O
Molecular Formula
C40H32O15
Molecular Weight
752.67
References & Citations
[1]Antimitotic and antiviral activities of Kelletinin A in HTLV-1 infected MT2 cells
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

[(2S,4R)-2,3,4,5-tetrakis[(4-hydroxybenzoyl)oxy]pentyl] 4-hydroxybenzoate
CAS Number112727-22-7
PubChem CID73290
IUPAC Name[(2S,4R)-2,3,4,5-tetrakis[(4-hydroxybenzoyl)oxy]pentyl] 4-hydroxybenzoate
Molecular FormulaC40H32O15
Molecular Weight752.7
XLogP6.4
Topological Polar Surface Area233
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count19
Heavy Atom Count55
Formal Charge0
Complexity1170
SMILES
C1=CC(=CC=C1C(=O)OC[C@H](C([C@H](COC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O)OC(=O)C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)O)O
InChI
InChI=1S/C40H32O15/c41-28-11-1-23(2-12-28)36(46)51-21-33(53-38(48)25-5-15-30(43)16-6-25)35(55-40(50)27-9-19-32(45)20-10-27)34(54-39(49)26-7-17-31(44)18-8-26)22-52-37(47)24-3-13-29(42)14-4-24/h1-20,33-35,41-45H,21-22H2/t33-,34+,35?
InChIKey
VWTLXEPPPUFDHF-ZILSETFPSA-N
Chemical Structure
2D Structure
2D structure of [(2S,4R)-2,3,4,5-tetrakis[(4-hydroxybenzoyl)oxy]pentyl] 4-hydroxybenzoate
CAS: 112727-22-7
CID: 73290
Formula: C40H32O15
MW: 752.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight752.7
XLogP36.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count19
Exact Mass752.17412031
Monoisotopic Mass752.17412031
Topological Polar Surface Area233 Ų
Heavy Atom Count55
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775291Kelletinin A
T24260-01Kelletinin I

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