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Chemical structure of Inostamycin A

GC48387

Inostamycin A

Also known as (2S)-2-[(2R,3S,4R,5R,6R)-5-ethyl-6-[(2R,3R,4S,6R)-6-[(2R,3R,5S)-5-[(2R,3R,5S)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxybutyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-3-methyloxan-2-yl]butanoic acid

A bacterial metabolite with anticancer activity

ChemicalCAS129905-10-8MW701FormulaC38H68O11
CAS number
129905-10-8
Molecular weight
701
Formula
C38H68O11
InChIKey
NZJHONRWXITMMC-SHVTYPMQSA-N
Catalogue number
GC48387
Brand
GLPBIO
Computed properties PubChem CID 122746 · XLogP 5.4 · TPSA 183 Ų · H-bond donors 6
XLogP
5.4
TPSA
183 Ų
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
16
Heavy atoms
49

SMILES CCC[C@@H]([C@@]1(C[C@H]([C@@](O1)([C@@]2(C[C@H]([C@@H](O2)[C@@H](CC)C(=O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]3[C@@H]([C@H]([C@@H]([C@@](O3)([C@H](CC)C(=O)O)O)C)O)CC)O)C)C)O)C)CC)O

Computed descriptors from PubChem (CID 122746), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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