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3-Isomangostin hydrate

CAT: 0931-TN2954Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2954Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26063-96-7
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
3-Isomangostin hydrate is a natural product for research related to life sciences. The catalog number is TN2954 and the CAS number is 26063-96-7.
Smiles
COc1c(O)cc2oc3cc4OC(C)(C)CCc4c(O)c3c(=O)c2c1CCC(C)(C)O
Molecular Formula
C24H28O7
Molecular Weight
428.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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