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Chemical structure of Andrastin A

GC42806

Andrastin A

Also known as methyl (9S,10R,13S)-3-acetyloxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate

Andrastin A is a meroterpenoid farnesyltransferase inhibitor

ChemicalCAS174232-42-9MW486.6FormulaC28H38O7
CAS number
174232-42-9
Molecular weight
486.6
Formula
C28H38O7
Solubility
DMF： Soluble,DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
GRBXNADBNJGZRK-BCMOVVIDSA-N
Catalogue number
GC42806
Brand
GLPBIO
Computed properties PubChem CID 496693 · XLogP 3.8 · TPSA 104 Ų · H-bond donors 0
XLogP
3.8
TPSA
104 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35

SMILES CC1C(=O)[C@]2(C(=C[C@@H]3[C@]4(CCC(C(C4CCC3(C2(C1=O)C(=O)OC)C)(C)C)OC(=O)C)C=O)C)C

Computed descriptors from PubChem (CID 496693), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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