6-Deoxy-13-cyclopropyl-erythromycin B
AlkaPlorer ID: AK030864
Synonym: '6-Deoxy-13-cyclopropyl-erythromycin B'
IUPAC Name: (3R,4S,5S,6S,7S,9R,11R,12S,13R,14R)-14-cyclopropyl-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-hydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Structure
SMILES: CO[C@]1(C)C[C@H](O[C@H]2[C@@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C3CC3)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O
InChI: InChI=1S/C38H67NO11/c1-18-15-19(2)32(50-37-31(42)27(39(10)11)16-20(3)46-37)23(6)33(48-28-17-38(9,45-12)35(43)25(8)47-28)24(7)36(44)49-34(26-13-14-26)22(5)30(41)21(4)29(18)40/h18-28,30-35,37,41-43H,13-17H2,1-12H3/t18-,19+,20-,21+,22-,23+,24-,25+,27+,28+,30-,31-,32+,33+,34+,35+,37+,38-/m1/s1
InChIKey: QZQXOYFOFWGSFM-FNMXLKPZSA-N
Reference
Production of 6-Deoxy-13-cyclopropyl-Erythromycin B by Saccharopolyspora erythraea NRRL 18643.
PubChem CID: 10556775
LOTUS: LTS0015848
SuperNatural Ⅲ: SN0319533-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharopolyspora erythraea | Saccharopolyspora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 713.9500000000002
TPSA？: 153.45
MolLogP？: 3.5558000000000054
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|