Sporeamicin B
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Basic information
- CAS
143313-36-4- Standard SMILES
CCC1OC(=O)C(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2=C(C)C(=O)C1(C)O2- InChIKey
COGYQPKBENVFFL-FLKWWHEYSA-N- Molecular formula
- C36H61NO12
- Average molar mass
- 699.9 g/mol
- Monoisotopic mass
- 699.41937638
Overview
structure given in first source; isolated from Saccharopolyspora
Names & identifiers
- Preferred name
- Sporeamicin B
- IUPAC
- 6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-8-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dione
- English name
- sporeamicin B
- Molecular formula
- C36H61NO12
- Molecular weight
- 699.87
Names & synonyms
Sporeamicin B143313-36-4Erythromycin, 9,10-didehydro-3''-O-demethyl-9-deoxo-11,12-dideoxy-9,12-epoxy-11-oxo-6-(4,5-Dihydroxy-4,6-dimethyloxan-2-yl)oxy-8-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dione6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-8-(4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo(10.2.1)pentadec-12-ene-4,14-dioneRefChem:185017SCHEMBL297115179,10-Didehydro-3''-O-demethyl-9-deoxo-11,12-dideoxy-9,12-epoxy-11-oxoerythromycinErythromycin, 9,10-didehydro-3''-O-demethyl-9-deoxo-11,12-dideoxy-9,12-epoxy-11-oxo- (9CI)
Database identifiers
- CAS
143313-36-4- PubChem CID
- 84034
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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