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Chemical structure of 14,15 β-Dihydroxyklaineanone

GC35056

14,15 β-Dihydroxyklaineanone

Also known as (1R,2S,3S,7S,9R,12R,13R,14S,15R,16R,17S)-3,12,13,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione

14,15 D-dihydroxyklaineanone, a quassinoid isolated from the root of Eurycoma longifolia, possesses anti-cancer activity

ChemicalCAS137359-82-1MW396.43FormulaC20H28O8
CAS number
137359-82-1
Molecular weight
396.43
Formula
C20H28O8
Solubility
Soluble in DMSO
InChIKey
NWNMAVFXIRDAPM-RELKVJPISA-N
Catalogue number
GC35056
Brand
GLPBIO
Computed properties PubChem CID 10883790 · XLogP -1 · TPSA 145 Ų · H-bond donors 5
XLogP
-1
TPSA
145 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
0
Heavy atoms
28

SMILES C[C@H]1[C@H]([C@@H]([C@@H]2[C@@]3([C@@H](C[C@@H]4[C@]2([C@]1([C@H](C(=O)O4)O)O)C)C(=CC(=O)[C@H]3O)C)C)O)O

Computed descriptors from PubChem (CID 10883790), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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