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Chemical structure of Anticancer agent 96

GC68669

Anticancer agent 96

Also known as [(3aS,4R,6E,10R,11aR)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

Anticancer agent 96 (Compound 4) is an anticancer drug that exhibits cytotoxicity against human cancer cells

ChemicalCAS1380680-89-6MW350.41FormulaC19H26O6
CAS number
1380680-89-6
Molecular weight
350.41
Formula
C19H26O6
InChIKey
PIRNIYXVCYUDEY-RZGVYQARSA-N
Catalogue number
GC68669
Brand
GLPBIO
Computed properties PubChem CID 164624787 · XLogP 1.6 · TPSA 93.1 Ų · H-bond donors 2
XLogP
1.6
TPSA
93.1 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25

SMILES CC(=C)C(=O)O[C@@H]1C/C(=C\CC[C@H](C[C@@H]2[C@@H]1C(=C)C(=O)O2)CO)/CO

Computed descriptors from PubChem (CID 164624787), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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