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Chemical structure of Gambogellic acid

GC38024

Gambogellic acid

Also known as (Z)-4-[(1R,2S,8R,19S,21R)-14-hydroxy-8,23,23-trimethyl-5-(3-methylbut-2-enyl)-16,20-dioxo-11-prop-1-en-2-yl-3,7,22-trioxaheptacyclo[17.4.1.18,12.02,17.02,21.04,15.06,13]pentacosa-4(15),5,13,17-tetraen-21-yl]-2-methylbut-2-enoic acid

Gambogellic acid is an xanthone isolated from the processed gamboge, with antitumor activity

ChemicalCAS173867-04-4MW628.75FormulaC38H44O8
CAS number
173867-04-4
Molecular weight
628.75
Formula
C38H44O8
Solubility
Soluble in DMSO
InChIKey
NVYMXCXFPJLTOZ-KEUVWPIWSA-N
Catalogue number
GC38024
Brand
GLPBIO
Computed properties PubChem CID 52945437 · XLogP 6.9 · TPSA 119 Ų · H-bond donors 2
XLogP
6.9
TPSA
119 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
46

SMILES CC(=CCC1=C2C(=C(C3=C1O[C@@]45[C@@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C7C[C@](O2)(CCC7C(=C)C)C)C

Computed descriptors from PubChem (CID 52945437), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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