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Chemical structure of Kongensin A

GC64370

Kongensin A

Also known as [(2R,4R,8R,9S,13R)-2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-8-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate

Kongensin A is a natural product isolated from Croton kongensis

ChemicalCAS885315-96-8MW374.47FormulaC22H30O5
CAS number
885315-96-8
Molecular weight
374.47
Formula
C22H30O5
InChIKey
NUUWPMNNBHROPI-ASAQZKIWSA-N
Catalogue number
GC64370
Brand
GLPBIO
Computed properties PubChem CID 91895304 · XLogP 2.6 · TPSA 80.7 Ų · H-bond donors 1
XLogP
2.6
TPSA
80.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27

SMILES CC(=O)O[C@@H]1CCC([C@@H]2[C@@]1(C(=O)CC[C@@H]3C=C([C@@H](C2)O)C(=O)C3=C)C)(C)C

Computed descriptors from PubChem (CID 91895304), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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