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3-Isomangostin hydrate

CAT: 0013-GTR19182657Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182657Size:5 mg
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Description
3-Isomangostin hydrate (CAS 26063-96-7) is a natural xanthone derivative used in life science research. It has been studied in vitro for its antioxidant and anti-inflammatory properties, with investigations into its potential effects on various cellular pathways.
CAS Number
26063-96-7
Field of Research
Infectious Disease & Virology
Smiles
COc1c (O) cc2oc3cc4OC (C) (C) CCc4c (O) c3c (=O) c2c1CCC (C) (C) O
Molecular Formula
C24H28O7
Molecular Weight
428.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Isomangostin Hydrate

3-Isomangostin Hydrate has been reported in Cratoxylum formosum and Cratoxylum cochinchinense with data available.

CAS Number26063-96-7
PubChem CID13873658
IUPAC Name5,9-dihydroxy-7-(3-hydroxy-3-methylbutyl)-8-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
Molecular FormulaC24H28O7
Molecular Weight428.5
XLogP4.3
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity677
SMILES
CC1(CCC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C=C(C(=C4CCC(C)(C)O)OC)O)C
InChI
InChI=1S/C24H28O7/c1-23(2,28)8-6-13-18-16(10-14(25)22(13)29-5)30-17-11-15-12(7-9-24(3,4)31-15)20(26)19(17)21(18)27/h10-11,25-26,28H,6-9H2,1-5H3
InChIKey
REZOIULTUMSCRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Isomangostin Hydrate
CAS: 26063-96-7
CID: 13873658
Formula: C24H28O7
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass428.18350323
Monoisotopic Mass428.18350323
Topological Polar Surface Area105 Ų
Heavy Atom Count31
Formal Charge0
Complexity677
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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