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Chemical structure of Polyporusterone C

GC69723

Polyporusterone C

Also known as (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-17-[(1R)-1-hydroxy-1-[(2R,3S)-3-[(2R)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Polyporusterone C (Compound 3) is a natural product that can be isolated from Polyporus umbellatus· It exhibits cytotoxicity against L-1210 cells with IC50 values of 37, 26, and 42 μg/mL at days 3, 5, and 7 respectively

ChemicalCAS141360-90-9MW476.65FormulaC28H44O6
CAS number
141360-90-9
Molecular weight
476.65
Formula
C28H44O6
InChIKey
XOSHHFGXQBEREG-TUUJZBRNSA-N
Catalogue number
GC69723
Brand
GLPBIO
Computed properties PubChem CID 44575600 · XLogP 2.3 · TPSA 111 Ų · H-bond donors 4
XLogP
2.3
TPSA
111 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
34

SMILES C[C@@H]([C@H]1[C@@H](O1)[C@@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)C(C)C

Computed descriptors from PubChem (CID 44575600), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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