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Gartanin

CAT: 0926-XG180004-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-XG180004-01Size:1 mg
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CAS Number
33390-42-0
Smiles
O=C1C2=C (OC3=C (O) C=CC (O) =C13) C (C/C=C (C) \C) =C (O) C (C/C=C (C) /C) =C2O
Molecular Formula
C23H24O6
Molecular Weight
396.4 g/mol
Controlled
No

Chemical Information

Gartanin

Gartanin is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 5 and 8 and prenyl groups at positions 2 and 4. It has a role as an antineoplastic agent and a plant metabolite. It is a polyphenol and a member of xanthones.

CAS Number33390-42-0
PubChem CID5281633
IUPAC Name1,3,5,8-tetrahydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Molecular FormulaC23H24O6
Molecular Weight396.4
XLogP5.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity662
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(C=CC(=C3O2)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3
InChIKey
OJXQLGQIDIPMTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gartanin
CAS: 33390-42-0
CID: 5281633
Formula: C23H24O6
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP35.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass396.15728848
Monoisotopic Mass396.15728848
Topological Polar Surface Area107 Ų
Heavy Atom Count29
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-N6038-01Gartanin
HY-N6038RGartanin (Standard)

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