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Chemical structure of 3-Isomangostin hydrate

GC76305

3-Isomangostin hydrate

Also known as 5,9-dihydroxy-7-(3-hydroxy-3-methylbutyl)-8-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one

3-Isomangostin hydrate (Compound 17) is an xanthone that can be isolated from Cratoxylum formosum ssp· pruniflorum and exhibits antibacterial activity

ChemicalCAS26063-96-7MW428.47FormulaC24H28O7
CAS number
26063-96-7
Molecular weight
428.47
Formula
C24H28O7
Solubility
DMSO: 100 mg/mL (233·39 mM; Need ultrasonic)
InChIKey
REZOIULTUMSCRT-UHFFFAOYSA-N
Catalogue number
GC76305
Brand
GLPBIO
Computed properties PubChem CID 13873658 · XLogP 4.3 · TPSA 105 Ų · H-bond donors 3
XLogP
4.3
TPSA
105 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
31

SMILES CC1(CCC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C=C(C(=C4CCC(C)(C)O)OC)O)C

Computed descriptors from PubChem (CID 13873658), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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