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Chemical structure of Benastatin A

GC49042

Benastatin A

Also known as 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentylbenzo[a]tetracene-2-carboxylic acid

A bacterial metabolite with diverse biological activities

ChemicalCAS138968-85-1MW500.5FormulaC30H28O7
CAS number
138968-85-1
Molecular weight
500.5
Formula
C30H28O7
InChIKey
LKGKHTANQJZVPR-UHFFFAOYSA-N
Catalogue number
GC49042
Brand
GLPBIO
Computed properties PubChem CID 126408 · XLogP 8.4 · TPSA 135 Ų · H-bond donors 5
XLogP
8.4
TPSA
135 Ų
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
37

SMILES CCCCCC1=C(C(=C2C(=C1)C=CC3=C(C4=C(C=C32)C(C5=C(C4=O)C(=CC(=C5)O)O)(C)C)O)O)C(=O)O

Computed descriptors from PubChem (CID 126408), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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