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Chemical structure of Boromycin

GC42967

Boromycin

Also known as [(2R)-1-[(1R)-1-[(1R,5S,7E,11S,13S,16R,17R,24S,25R,27R,31R,33S,36R)-11,31-dihydroxy-12,12,16,25,32,32,36-heptamethyl-3,22-dioxo-4,18,20,23,26,37,38,40,41-nonaoxa-19-boranuidaheptacyclo[17.17.1.11,33.12,19.113,17.124,27.017,21]hentetracont-7-en-5-yl]ethoxy]-3-methyl-1-oxobutan-2-yl]azanium

Boromycin is a boron-containing macrolide antibiotic that has been found in Streptomyces

ChemicalCAS34524-20-4MW879.9FormulaC45H73BNO15•H
CAS number
34524-20-4
Molecular weight
879.9
Formula
C45H73BNO15•H
Solubility
DMSO： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
OOBFYEMEQCZLJL-XURNZCJASA-O
Catalogue number
GC42967
Brand
GLPBIO
Computed properties PubChem CID 6436027 · TPSA 212 Ų · H-bond donors 3 · H-bond acceptors 16
TPSA
212 Ų
H-bond donors
3
H-bond acceptors
16
Rotatable bonds
5
Heavy atoms
62

SMILES [B-]123OC4C(=O)O[C@@H](C/C=C/CC[C@@H](C([C@@H]5CC[C@H]([C@@](O1)(O5)C(O2)C(=O)O[C@H]6C[C@@H](CCC[C@H](C([C@@H]7CC[C@H]([C@@]4(O3)O7)C)(C)C)O)O[C@@H]6C)C)(C)C)O)[C@@H](C)OC(=O)[C@@H](C(C)C)[NH3+]

Computed descriptors from PubChem (CID 6436027), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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