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Chemical structure of 13,21-Dihydroeurycomanone

GC62725

13,21-Dihydroeurycomanone

Also known as (1R,4R,5R,6S,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione

13,21-Dihydroeurycomanone, a natural compound isolated from Eurycoma longifolia root, possesses anti-parasite activity for Plasmodium falciparum and Toxoplasma gondii

ChemicalCAS129587-06-0MW410.42FormulaC20H26O9
CAS number
129587-06-0
Molecular weight
410.42
Formula
C20H26O9
Solubility
DMSO ： 100 mg/mL (243·65 mM; Need ultrasonic)
InChIKey
PKICXNXDFYYYGH-QWRBDCSPSA-N
Catalogue number
GC62725
Brand
GLPBIO
Computed properties PubChem CID 13936707 · XLogP -2 · TPSA 154 Ų · H-bond donors 5
XLogP
-2
TPSA
154 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
0
Heavy atoms
29

SMILES C[C@H]1[C@H]([C@]2([C@@H]3[C@@]4([C@@H](C[C@@H]5[C@]3([C@]1([C@H](C(=O)O5)O)O)CO2)C(=CC(=O)[C@H]4O)C)C)O)O

Computed descriptors from PubChem (CID 13936707), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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