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Chemical structure of Mangostanin

GC60036

Mangostanin

Also listed as 9-Hydroxycalabaxanthone

9-Hydroxycalabaxanthone (Xanthone I) is a known xanthone isolated from Garcinia mangostana Linn

ChemicalCAS35349-68-9MW408.44FormulaC24H24O6
CAS number
35349-68-9
Molecular weight
408.44
Formula
C24H24O6
Solubility
DMSO ： 50 mg/mL (122·42 mM; Need ultrasonic)
InChIKey
HQWHKELJHUFLGD-UHFFFAOYSA-N
Catalogue number
GC60036
Brand
GLPBIO
Computed properties PubChem CID 5495929 · XLogP 5.6 · TPSA 85.2 Ų · H-bond donors 2
XLogP
5.6
TPSA
85.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30

SMILES CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)C

Computed descriptors from PubChem (CID 5495929), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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