Products for Research Use Only

1-Isomangostin hydrate

CAT: 1410-M18324-01Size: 1 EachDry Ice: NoHazardous: No
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Description
1-Isomangostin is a natural product extracted from Garcinia mangostana. It has antifungal activity.
CAS Number
26063-95-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
428.47
Molecular Formula
C24H28O7
Notes
Research use only, not for human use.
Receptor
Antifungle

Chemical Information

1-Isomangostin Hydrate
CAS Number26063-95-6
PubChem CID13873659
IUPAC Name5,9-dihydroxy-11-(3-hydroxy-3-methylbutyl)-10-methoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one
Molecular FormulaC24H28O7
Molecular Weight428.5
XLogP3.8
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)C3=C(C=C2O)OC4=C(C3=O)C(=C(C(=C4)O)OC)CCC(C)(C)O)C
InChI
InChI=1S/C24H28O7/c1-23(2,28)8-6-13-18-16(11-15(26)21(13)29-5)30-17-10-14(25)12-7-9-24(3,4)31-22(12)19(17)20(18)27/h10-11,25-26,28H,6-9H2,1-5H3
InChIKey
QEERGWNVXZILOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Isomangostin Hydrate
CAS: 26063-95-6
CID: 13873659
Formula: C24H28O7
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP33.8
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