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Chemical structure of A-83016F

GC18936

A-83016F

Also known as (2E,4E,6E)-7-[(2R,3R,5R)-3-hydroxy-5-[(2S,3S,4E,6E)-3-methoxy-4-methyl-8-[[(2S)-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]butanoyl]amino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid

A-83016F is an aurodox antibiotic isolated from the actinomycete species A83016

ChemicalCAS142435-72-1MW673.8FormulaC37H55NO10
CAS number
142435-72-1
Molecular weight
673.8
Formula
C37H55NO10
Solubility
DMF： soluble,DMSO： soluble,Ethanol： soluble
InChIKey
NVGDRZNFKVTHMG-UJTMXSGASA-N
Catalogue number
GC18936
Brand
GLPBIO
Computed properties PubChem CID 6450143 · XLogP 4.2 · TPSA 175 Ų · H-bond donors 6
XLogP
4.2
TPSA
175 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
16
Heavy atoms
48

SMILES CC[C@H](C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]1C[C@H]([C@H](O1)/C=C/C=C/C=C/C(=O)O)O)OC)[C@@]2([C@@H]([C@@H](C([C@@H](O2)/C=C/C=C\C)(C)C)O)O)O

Computed descriptors from PubChem (CID 6450143), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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